2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine

C12H16ClN — CID 60984047

IUPAC2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
SMILESClc1ccccc1CCNCC1CC1
InChIInChI=1S/C12H16ClN/c13-12-4-2-1-3-11(12)7-8-14-9-10-5-6-10/h1-4,10,14H,5-9H2
InChIKeyHBYHKTRPNUDGQV-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.88
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine

2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine (PubChem CID 60984047) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
PubChem CID60984047
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
SMILESClc1ccccc1CCNCC1CC1
InChIInChI=1S/C12H16ClN/c13-12-4-2-1-3-11(12)7-8-14-9-10-5-6-10/h1-4,10,14H,5-9H2
InChIKeyHBYHKTRPNUDGQV-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine (CID 60984047) is 2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine is Clc1ccccc1CCNCC1CC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine?
The InChIKey is HBYHKTRPNUDGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c13-12-4-2-1-3-11(12)7-8-14-9-10-5-6-10/h1-4,10,14H,5-9H2.
What are the key properties of 2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine?
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine has a molecular weight of 209.72 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine is sourced from PubChem (CID 60984047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).