3-(aminomethyl)-2-chloroaniline

C7H9ClN2 — CID 69499181

IUPAC3-(aminomethyl)-2-chloroaniline
SMILESNCc1cccc(N)c1Cl
InChIInChI=1S/C7H9ClN2/c8-7-5(4-9)2-1-3-6(7)10/h1-3H,4,9-10H2
InChIKeyBVSVIAUGTPTXSY-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.38
Rot. Bonds1

About 3-(aminomethyl)-2-chloroaniline

3-(aminomethyl)-2-chloroaniline (PubChem CID 69499181) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 3-(aminomethyl)-2-chloroaniline.

Molecular Properties

Compound Name3-(aminomethyl)-2-chloroaniline
PubChem CID69499181
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name3-(aminomethyl)-2-chloroaniline
SMILESNCc1cccc(N)c1Cl
InChIInChI=1S/C7H9ClN2/c8-7-5(4-9)2-1-3-6(7)10/h1-3H,4,9-10H2
InChIKeyBVSVIAUGTPTXSY-UHFFFAOYSA-N
XLogP1.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(2,2,2-trifluoroethyl)aniline
CID 175132449
2-chlorobenzene-1,3-diamine;dihydrochloride
CID 141430940
2-(aminomethyl)aniline;hydrochloride
CID 69170371
1-(3-amino-2-chlorophenyl)-3-bromopropan-2-one
CID 118854801
2-(aminomethyl)aniline;ethane
CID 90697767
2-(3-amino-2-chlorophenyl)ethyl carbamate
CID 142788747
2-(aminomethyl)benzene-1,3-diamine
CID 18451650
[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 43531293
(1-chloronaphthalen-2-yl)methanamine
CID 22286820
3-(aminomethyl)-2-piperidin-1-ylaniline
CID 70587654
2-(aminomethyl)-6-chlorobenzaldehyde
CID 174425171
2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile
CID 131209243

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-chloroaniline?
The IUPAC name of 3-(aminomethyl)-2-chloroaniline (CID 69499181) is 3-(aminomethyl)-2-chloroaniline.
What is the SMILES notation for 3-(aminomethyl)-2-chloroaniline?
The canonical SMILES for 3-(aminomethyl)-2-chloroaniline is NCc1cccc(N)c1Cl.
What is the InChIKey of 3-(aminomethyl)-2-chloroaniline?
The InChIKey is BVSVIAUGTPTXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c8-7-5(4-9)2-1-3-6(7)10/h1-3H,4,9-10H2.
What are the key properties of 3-(aminomethyl)-2-chloroaniline?
3-(aminomethyl)-2-chloroaniline has a molecular weight of 156.62 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-chloroaniline is sourced from PubChem (CID 69499181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).