1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine

C20H20ClN — CID 166763286

IUPAC1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine
SMILESC=Cc1ccc(CNC(=C)c2c(Cl)cccc2C(=C)C)cc1
InChIInChI=1S/C20H20ClN/c1-5-16-9-11-17(12-10-16)13-22-15(4)20-18(14(2)3)7-6-8-19(20)21/h5-12,22H,1-2,4,13H2,3H3
InChIKeyIOQADMHLDMWKOV-UHFFFAOYSA-N
MW309.84 g/mol
LogP5.78
Rot. Bonds6

About 1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine

1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine (PubChem CID 166763286) has the molecular formula C20H20ClN and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine.

Molecular Properties

Compound Name1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine
PubChem CID166763286
Molecular FormulaC20H20ClN
Molecular Weight309.84 g/mol
Exact Mass309.13
IUPAC Name1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine
SMILESC=Cc1ccc(CNC(=C)c2c(Cl)cccc2C(=C)C)cc1
InChIInChI=1S/C20H20ClN/c1-5-16-9-11-17(12-10-16)13-22-15(4)20-18(14(2)3)7-6-8-19(20)21/h5-12,22H,1-2,4,13H2,3H3
InChIKeyIOQADMHLDMWKOV-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.84
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine
CID 18728431
methyl 2-chloro-6-prop-1-en-2-ylbenzoate
CID 129080595
N-[(4-ethenylphenyl)methyl]-3-hydroxybut-3-enamide
CID 59550018
1-cyano-3-[(4-ethenylphenyl)methyl]-2-methylguanidine
CID 101441474
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
tert-butyl N-[(4-ethenylphenyl)methyl]carbamate
CID 86169082
1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene
CID 159036970
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866
N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 173138199
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine?
The IUPAC name of 1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine (CID 166763286) is 1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine.
What is the SMILES notation for 1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine?
The canonical SMILES for 1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine is C=Cc1ccc(CNC(=C)c2c(Cl)cccc2C(=C)C)cc1.
What is the InChIKey of 1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine?
The InChIKey is IOQADMHLDMWKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN/c1-5-16-9-11-17(12-10-16)13-22-15(4)20-18(14(2)3)7-6-8-19(20)21/h5-12,22H,1-2,4,13H2,3H3.
What are the key properties of 1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine?
1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine has a molecular weight of 309.84 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine is sourced from PubChem (CID 166763286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).