1-(2-chloro-4-methylphenyl)ethenamine

C9H10ClN — CID 142112341

IUPAC1-(2-chloro-4-methylphenyl)ethenamine
SMILESC=C(N)c1ccc(C)cc1Cl
InChIInChI=1S/C9H10ClN/c1-6-3-4-8(7(2)11)9(10)5-6/h3-5H,2,11H2,1H3
InChIKeyQXPZLUIHNLNGKM-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.58
Rot. Bonds1

About 1-(2-chloro-4-methylphenyl)ethenamine

1-(2-chloro-4-methylphenyl)ethenamine (PubChem CID 142112341) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)ethenamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)ethenamine
PubChem CID142112341
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name1-(2-chloro-4-methylphenyl)ethenamine
SMILESC=C(N)c1ccc(C)cc1Cl
InChIInChI=1S/C9H10ClN/c1-6-3-4-8(7(2)11)9(10)5-6/h3-5H,2,11H2,1H3
InChIKeyQXPZLUIHNLNGKM-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)ethenamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)ethenamine (CID 142112341) is 1-(2-chloro-4-methylphenyl)ethenamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)ethenamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)ethenamine is C=C(N)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)ethenamine?
The InChIKey is QXPZLUIHNLNGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c1-6-3-4-8(7(2)11)9(10)5-6/h3-5H,2,11H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)ethenamine?
1-(2-chloro-4-methylphenyl)ethenamine has a molecular weight of 167.64 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)ethenamine is sourced from PubChem (CID 142112341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).