N-[(2-chlorophenyl)methyl]ethanamine

C9H12ClN — CID 4719439

IUPACN-[(2-chlorophenyl)methyl]ethanamine
SMILESCCNCc1ccccc1Cl
InChIInChI=1S/C9H12ClN/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3
InChIKeyQWMNTOVGKJAROU-UHFFFAOYSA-N
MW169.66 g/mol
LogP2.45
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]ethanamine

N-[(2-chlorophenyl)methyl]ethanamine (PubChem CID 4719439) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]ethanamine
PubChem CID4719439
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC NameN-[(2-chlorophenyl)methyl]ethanamine
SMILESCCNCc1ccccc1Cl
InChIInChI=1S/C9H12ClN/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3
InChIKeyQWMNTOVGKJAROU-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]ethanamine (CID 4719439) is N-[(2-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]ethanamine is CCNCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]ethanamine?
The InChIKey is QWMNTOVGKJAROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]ethanamine?
N-[(2-chlorophenyl)methyl]ethanamine has a molecular weight of 169.66 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 4719439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).