4-(aminomethyl)-3-chloroaniline

C7H9ClN2 — CID 62946364

IUPAC4-(aminomethyl)-3-chloroaniline
SMILESNCc1ccc(N)cc1Cl
InChIInChI=1S/C7H9ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,4,9-10H2
InChIKeyUGSXRYXRWBKDFP-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.38
Rot. Bonds1

About 4-(aminomethyl)-3-chloroaniline

4-(aminomethyl)-3-chloroaniline (PubChem CID 62946364) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloroaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloroaniline
PubChem CID62946364
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name4-(aminomethyl)-3-chloroaniline
SMILESNCc1ccc(N)cc1Cl
InChIInChI=1S/C7H9ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,4,9-10H2
InChIKeyUGSXRYXRWBKDFP-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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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloroaniline?
The IUPAC name of 4-(aminomethyl)-3-chloroaniline (CID 62946364) is 4-(aminomethyl)-3-chloroaniline.
What is the SMILES notation for 4-(aminomethyl)-3-chloroaniline?
The canonical SMILES for 4-(aminomethyl)-3-chloroaniline is NCc1ccc(N)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-3-chloroaniline?
The InChIKey is UGSXRYXRWBKDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,4,9-10H2.
What are the key properties of 4-(aminomethyl)-3-chloroaniline?
4-(aminomethyl)-3-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 4-(aminomethyl)-3-chloroaniline is sourced from PubChem (CID 62946364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).