[2-(1-chloroethenyl)phenyl]methanamine

C9H10ClN — CID 172698526

IUPAC[2-(1-chloroethenyl)phenyl]methanamine
SMILESC=C(Cl)c1ccccc1CN
InChIInChI=1S/C9H10ClN/c1-7(10)9-5-3-2-4-8(9)6-11/h2-5H,1,6,11H2
InChIKeyCQLQBVBLIZJFEW-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.35
Rot. Bonds2

About [2-(1-chloroethenyl)phenyl]methanamine

[2-(1-chloroethenyl)phenyl]methanamine (PubChem CID 172698526) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is [2-(1-chloroethenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(1-chloroethenyl)phenyl]methanamine
PubChem CID172698526
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name[2-(1-chloroethenyl)phenyl]methanamine
SMILESC=C(Cl)c1ccccc1CN
InChIInChI=1S/C9H10ClN/c1-7(10)9-5-3-2-4-8(9)6-11/h2-5H,1,6,11H2
InChIKeyCQLQBVBLIZJFEW-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)benzoyl chloride
CID 82503183
bis[2-(aminomethyl)phenyl]methanethione
CID 87478627
1-chloro-2-(1-chloroethenyl)benzene
CID 10942929
1-[2-(aminomethyl)phenyl]-2-hydroxyethanone
CID 163539721
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
1-[2-(aminomethyl)phenyl]-2-bromoethanone
CID 150045580
2-(aminomethyl)benzoic acid;tert-butyl carbonochloridate
CID 159735444
[2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine
CID 163257031
2-(aminomethyl)phenol;methane
CID 158060419
[2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride
CID 173049535
2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810
N-[2-(1-chloroethenyl)phenyl]methanimine
CID 123453990

Frequently Asked Questions

What is the IUPAC name of [2-(1-chloroethenyl)phenyl]methanamine?
The IUPAC name of [2-(1-chloroethenyl)phenyl]methanamine (CID 172698526) is [2-(1-chloroethenyl)phenyl]methanamine.
What is the SMILES notation for [2-(1-chloroethenyl)phenyl]methanamine?
The canonical SMILES for [2-(1-chloroethenyl)phenyl]methanamine is C=C(Cl)c1ccccc1CN.
What is the InChIKey of [2-(1-chloroethenyl)phenyl]methanamine?
The InChIKey is CQLQBVBLIZJFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c1-7(10)9-5-3-2-4-8(9)6-11/h2-5H,1,6,11H2.
What are the key properties of [2-(1-chloroethenyl)phenyl]methanamine?
[2-(1-chloroethenyl)phenyl]methanamine has a molecular weight of 167.64 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-chloroethenyl)phenyl]methanamine is sourced from PubChem (CID 172698526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).