2-chloro-N-[(2-methylphenyl)methyl]ethanamine

C10H14ClN — CID 44563325

IUPAC2-chloro-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNCCCl
InChIInChI=1S/C10H14ClN/c1-9-4-2-3-5-10(9)8-12-7-6-11/h2-5,12H,6-8H2,1H3
InChIKeySQXOHDURIKKTLB-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.32
Rot. Bonds4

About 2-chloro-N-[(2-methylphenyl)methyl]ethanamine

2-chloro-N-[(2-methylphenyl)methyl]ethanamine (PubChem CID 44563325) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-[(2-methylphenyl)methyl]ethanamine
PubChem CID44563325
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-chloro-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNCCCl
InChIInChI=1S/C10H14ClN/c1-9-4-2-3-5-10(9)8-12-7-6-11/h2-5,12H,6-8H2,1H3
InChIKeySQXOHDURIKKTLB-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-chloro-N-[(2-methylphenyl)methyl]ethanamine (CID 44563325) is 2-chloro-N-[(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-[(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-chloro-N-[(2-methylphenyl)methyl]ethanamine is Cc1ccccc1CNCCCl.
What is the InChIKey of 2-chloro-N-[(2-methylphenyl)methyl]ethanamine?
The InChIKey is SQXOHDURIKKTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-9-4-2-3-5-10(9)8-12-7-6-11/h2-5,12H,6-8H2,1H3.
What are the key properties of 2-chloro-N-[(2-methylphenyl)methyl]ethanamine?
2-chloro-N-[(2-methylphenyl)methyl]ethanamine has a molecular weight of 183.68 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 44563325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).