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Chemical ID: 4123750
Chemical ID:
4123750
Name [?]:
1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine
SMILES [?]:
CCN1CCCC1CNCc2ccc(cc2)OC
InChi [?]:
InChI=1/C15H24N2O/c1-3-17-10-4-5-14(17)12-16-11-13-6-8-15(18-2)9-7-13/h6-9,14,16H,3-5,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,5,6,12,16,13,15,4,10,8,11,7,14,9,3,17/E:(6,7)(8,9)/rA:18cCCNCCCCCNCCCCCCCOC/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.70537 |
Area: | 464.457 |
Solvation: | -2.90604 |
Coulombic: | -21.8838 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 248.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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