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Chemical ID: 4183031
Chemical ID:
4183031
Name [?]:
N-[(2-methoxyphenyl)methyl]pentan-3-amine
SMILES [?]:
CCC(CC)NCc1ccccc1OC
InChi [?]:
InChI=1/C13H21NO/c1-4-12(5-2)14-10-11-8-6-7-9-13(11)15-3/h6-9,12,14H,4-5,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,15,2,4,10,11,9,12,7,8,3,13,6,14/E:(1,2)(4,5)/rA:15nCCCCCNCCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.52461 |
Area: | 396.141 |
Solvation: | -2.37892 |
Coulombic: | -17.626 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 207.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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