(3-chlorophenyl)methanamine;hydrochloride

C7H9Cl2N — CID 18670848

IUPAC(3-chlorophenyl)methanamine;hydrochloride
SMILESCl.NCc1cccc(Cl)c1
InChIInChI=1S/C7H8ClN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H
InChIKeyFVZFEEWKJGVEFP-UHFFFAOYSA-N
MW178.06 g/mol
LogP2.22
Rot. Bonds1

About (3-chlorophenyl)methanamine;hydrochloride

(3-chlorophenyl)methanamine;hydrochloride (PubChem CID 18670848) has the molecular formula C7H9Cl2N and a molecular weight of 178.06 g/mol. Its IUPAC name is (3-chlorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-chlorophenyl)methanamine;hydrochloride
PubChem CID18670848
Molecular FormulaC7H9Cl2N
Molecular Weight178.06 g/mol
Exact Mass177.01
IUPAC Name(3-chlorophenyl)methanamine;hydrochloride
SMILESCl.NCc1cccc(Cl)c1
InChIInChI=1S/C7H8ClN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H
InChIKeyFVZFEEWKJGVEFP-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methanamine;hydrochloride?
The IUPAC name of (3-chlorophenyl)methanamine;hydrochloride (CID 18670848) is (3-chlorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (3-chlorophenyl)methanamine;hydrochloride?
The canonical SMILES for (3-chlorophenyl)methanamine;hydrochloride is Cl.NCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methanamine;hydrochloride?
The InChIKey is FVZFEEWKJGVEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H.
What are the key properties of (3-chlorophenyl)methanamine;hydrochloride?
(3-chlorophenyl)methanamine;hydrochloride has a molecular weight of 178.06 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 18670848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).