3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline

C14H17N3 — CID 174680323

IUPAC3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
SMILESNCc1cccc(Nc2cccc(CN)c2)c1
InChIInChI=1S/C14H17N3/c15-9-11-3-1-5-13(7-11)17-14-6-2-4-12(8-14)10-16/h1-8,17H,9-10,15-16H2
InChIKeyWTBZUJRUAJXQEK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.35
Rot. Bonds4

About 3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline

3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline (PubChem CID 174680323) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
PubChem CID174680323
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
SMILESNCc1cccc(Nc2cccc(CN)c2)c1
InChIInChI=1S/C14H17N3/c15-9-11-3-1-5-13(7-11)17-14-6-2-4-12(8-14)10-16/h1-8,17H,9-10,15-16H2
InChIKeyWTBZUJRUAJXQEK-UHFFFAOYSA-N
XLogP2.35
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(aminomethyl)anilino]benzonitrile
CID 117027344
methyl 3-[3-(aminomethyl)anilino]benzoate
CID 117027328
N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 170875456
N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine
CID 59849461
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265
3-(aminomethyl)-N-propan-2-ylaniline
CID 47003536
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
CID 63767795
[3-(aminomethyl)anilino]methanesulfinic acid
CID 174465749
N-[4-(aminomethyl)phenyl]-3-fluoroaniline
CID 117027398
N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline
CID 117027291
N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine
CID 63767610

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline?
The IUPAC name of 3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline (CID 174680323) is 3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline.
What is the SMILES notation for 3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline?
The canonical SMILES for 3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline is NCc1cccc(Nc2cccc(CN)c2)c1.
What is the InChIKey of 3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline?
The InChIKey is WTBZUJRUAJXQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-9-11-3-1-5-13(7-11)17-14-6-2-4-12(8-14)10-16/h1-8,17H,9-10,15-16H2.
What are the key properties of 3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline?
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline is sourced from PubChem (CID 174680323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).