2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine

C19H22ClN — CID 144821853

IUPAC2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine
SMILESC=Cc1ccc(CCNCC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN/c1-3-16-4-6-17(7-5-16)12-13-21-14-15(2)18-8-10-19(20)11-9-18/h3-11,15,21H,1,12-14H2,2H3
InChIKeyVMXXJCIXCMGFGO-UHFFFAOYSA-N
MW299.85 g/mol
LogP4.92
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine

2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine (PubChem CID 144821853) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine
PubChem CID144821853
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine
SMILESC=Cc1ccc(CCNCC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN/c1-3-16-4-6-17(7-5-16)12-13-21-14-15(2)18-8-10-19(20)11-9-18/h3-11,15,21H,1,12-14H2,2H3
InChIKeyVMXXJCIXCMGFGO-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 54.92
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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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17208769
ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol
CID 144821977
2-(4-ethenylphenyl)-N-ethylethanamine
CID 20507043
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine
CID 114200118
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124
4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 175171618
2-[[2-(4-chlorophenyl)ethylamino]methyl]-3-methylbutanoic acid
CID 115250406
N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 57374009
1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol
CID 141296655
1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577747
N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 139721911
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine (CID 144821853) is 2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine is C=Cc1ccc(CCNCC(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine?
The InChIKey is VMXXJCIXCMGFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-3-16-4-6-17(7-5-16)12-13-21-14-15(2)18-8-10-19(20)11-9-18/h3-11,15,21H,1,12-14H2,2H3.
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine?
2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine has a molecular weight of 299.85 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 144821853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).