(2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine

C17H16ClN — CID 11011042

IUPAC(2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine
SMILESNC(/C=C/C=C/c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN/c18-16-12-10-15(11-13-16)17(19)9-5-4-8-14-6-2-1-3-7-14/h1-13,17H,19H2/b8-4+,9-5+
InChIKeyBZLSYJSLDHJHBD-KBXRYBNXSA-N
MW269.77 g/mol
LogP4.61
Rot. Bonds4

About (2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine

(2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine (PubChem CID 11011042) has the molecular formula C17H16ClN and a molecular weight of 269.77 g/mol. Its IUPAC name is (2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine
PubChem CID11011042
Molecular FormulaC17H16ClN
Molecular Weight269.77 g/mol
Exact Mass269.10
IUPAC Name(2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine
SMILESNC(/C=C/C=C/c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN/c18-16-12-10-15(11-13-16)17(19)9-5-4-8-14-6-2-1-3-7-14/h1-13,17H,19H2/b8-4+,9-5+
InChIKeyBZLSYJSLDHJHBD-KBXRYBNXSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene
CID 102471698
1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene
CID 72540254
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene
CID 176640300
1-(4-chlorophenyl)prop-2-en-1-amine
CID 12987192
(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol
CID 10729956
3-(4-chlorophenyl)prop-2-enoic acid;5-phenylpenta-2,4-dienoic acid
CID 173256953
dimethyl 2-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enyl]propanedioate
CID 102041385
(1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol
CID 155932979
1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene
CID 73211746

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine (CID 11011042) is (2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine is NC(/C=C/C=C/c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine?
The InChIKey is BZLSYJSLDHJHBD-KBXRYBNXSA-N. The full InChI is InChI=1S/C17H16ClN/c18-16-12-10-15(11-13-16)17(19)9-5-4-8-14-6-2-1-3-7-14/h1-13,17H,19H2/b8-4+,9-5+.
What are the key properties of (2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine?
(2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine has a molecular weight of 269.77 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine is sourced from PubChem (CID 11011042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).