1-(2-Chlorophenyl)ethanamine

C8H10ClN — CID 299767

IUPAC1-(2-chlorophenyl)ethanamine
SMILESCC(C1=CC=CC=C1Cl)N
InChIInChI=1S/C8H10ClN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3
InChIKeyRJPLGQTZHLRZGX-UHFFFAOYSA-N
MW155.62 g/mol
LogP1.80
Rot. Bonds1

About 1-(2-Chlorophenyl)ethanamine

1-(2-Chlorophenyl)ethanamine (PubChem CID 299767) has the molecular formula C8H10ClN and a molecular weight of 155.62 g/mol. Its IUPAC name is 1-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-Chlorophenyl)ethanamine
PubChem CID299767
Molecular FormulaC8H10ClN
Molecular Weight155.62 g/mol
Exact Mass155.05
IUPAC Name1-(2-chlorophenyl)ethanamine
SMILESCC(C1=CC=CC=C1Cl)N
InChIInChI=1S/C8H10ClN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3
InChIKeyRJPLGQTZHLRZGX-UHFFFAOYSA-N
XLogP1.80
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity105

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.62
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
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p-Chloroamphetamine
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4-Chlorobenzylamine
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Benzenemethanamine, 3-chloro-
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Benzenemethanamine, 4-chloro-N-methyl-
CID 66905

Frequently Asked Questions

What is the IUPAC name of 1-(2-Chlorophenyl)ethanamine?
The IUPAC name of 1-(2-Chlorophenyl)ethanamine (CID 299767) is 1-(2-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(2-Chlorophenyl)ethanamine?
The canonical SMILES for 1-(2-Chlorophenyl)ethanamine is CC(C1=CC=CC=C1Cl)N.
What is the InChIKey of 1-(2-Chlorophenyl)ethanamine?
The InChIKey is RJPLGQTZHLRZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3.
What are the key properties of 1-(2-Chlorophenyl)ethanamine?
1-(2-Chlorophenyl)ethanamine has a molecular weight of 155.62 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Chlorophenyl)ethanamine is sourced from PubChem (CID 299767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).