4-(aminomethyl)-2-chloro-6-methylaniline

C8H11ClN2 — CID 55255766

IUPAC4-(aminomethyl)-2-chloro-6-methylaniline
SMILESCc1cc(CN)cc(Cl)c1N
InChIInChI=1S/C8H11ClN2/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3H,4,10-11H2,1H3
InChIKeyHULWKUZPEXWDEB-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.69
Rot. Bonds1

About 4-(aminomethyl)-2-chloro-6-methylaniline

4-(aminomethyl)-2-chloro-6-methylaniline (PubChem CID 55255766) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-6-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-6-methylaniline
PubChem CID55255766
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-(aminomethyl)-2-chloro-6-methylaniline
SMILESCc1cc(CN)cc(Cl)c1N
InChIInChI=1S/C8H11ClN2/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3H,4,10-11H2,1H3
InChIKeyHULWKUZPEXWDEB-UHFFFAOYSA-N
XLogP1.69
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.69
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)-2-chloro-6-methylaniline?
The IUPAC name of 4-(aminomethyl)-2-chloro-6-methylaniline (CID 55255766) is 4-(aminomethyl)-2-chloro-6-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-6-methylaniline?
The canonical SMILES for 4-(aminomethyl)-2-chloro-6-methylaniline is Cc1cc(CN)cc(Cl)c1N.
What is the InChIKey of 4-(aminomethyl)-2-chloro-6-methylaniline?
The InChIKey is HULWKUZPEXWDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3H,4,10-11H2,1H3.
What are the key properties of 4-(aminomethyl)-2-chloro-6-methylaniline?
4-(aminomethyl)-2-chloro-6-methylaniline has a molecular weight of 170.64 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-6-methylaniline is sourced from PubChem (CID 55255766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).