(Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine

C19H22ClN — CID 70596966

IUPAC(Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine
SMILESC/C(=C/CNC(C)C)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN/c1-14(2)21-13-12-15(3)16-4-6-17(7-5-16)18-8-10-19(20)11-9-18/h4-12,14,21H,13H2,1-3H3/b15-12-
InChIKeyVLYYMIPXZATFEA-QINSGFPZSA-N
MW299.85 g/mol
LogP5.41
Rot. Bonds5

About (Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine

(Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine (PubChem CID 70596966) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is (Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine
PubChem CID70596966
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name(Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine
SMILESC/C(=C/CNC(C)C)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN/c1-14(2)21-13-12-15(3)16-4-6-17(7-5-16)18-8-10-19(20)11-9-18/h4-12,14,21H,13H2,1-3H3/b15-12-
InChIKeyVLYYMIPXZATFEA-QINSGFPZSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine
CID 54253677
(E)-4-(4-chlorophenyl)pent-3-en-1-ol
CID 11995606
1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine
CID 54435929
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
(Z)-4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-methylbut-2-enoic acid
CID 103257177
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
1-chloro-4-(1-fluoroprop-1-enyl)benzene
CID 66592587
2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338727
3-(4-chlorophenyl)but-2-enal
CID 74343436
(E)-3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
CID 58816048
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine?
The IUPAC name of (Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine (CID 70596966) is (Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine.
What is the SMILES notation for (Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine?
The canonical SMILES for (Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine is C/C(=C/CNC(C)C)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of (Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine?
The InChIKey is VLYYMIPXZATFEA-QINSGFPZSA-N. The full InChI is InChI=1S/C19H22ClN/c1-14(2)21-13-12-15(3)16-4-6-17(7-5-16)18-8-10-19(20)11-9-18/h4-12,14,21H,13H2,1-3H3/b15-12-.
What are the key properties of (Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine?
(Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine has a molecular weight of 299.85 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine is sourced from PubChem (CID 70596966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).