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Chemical ID: 4123808
Chemical ID:
4123808
Name [?]:
1-methylamino-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILES [?]:
CNCC(Cn1c2ccccc2c3c1CCCC3)O
InChi [?]:
InChI=1/C16H22N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2,4,6,8,12,17,19H,3,5,7,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,17,9,16,11,18,8,15,3,5,4,12,13,7,14,2,6,19/rA:19cCNCCCNCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6d13;s14;s15;s16;s13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.86594 |
Area: | 448.514 |
Solvation: | -3.34692 |
Coulombic: | -31.3835 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 258.359 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.18 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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