[3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine

C24H25N — CID 174283002

IUPAC[3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine
SMILESCc1cccc(C=CCC(c2ccccc2)c2cccc(CN)c2)c1
InChIInChI=1S/C24H25N/c1-19-8-5-9-20(16-19)10-7-15-24(22-12-3-2-4-13-22)23-14-6-11-21(17-23)18-25/h2-14,16-17,24H,15,18,25H2,1H3
InChIKeyLCIYDUNKIPAOGR-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.69
Rot. Bonds6

About [3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine

[3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine (PubChem CID 174283002) has the molecular formula C24H25N and a molecular weight of 327.47 g/mol. Its IUPAC name is [3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine
PubChem CID174283002
Molecular FormulaC24H25N
Molecular Weight327.47 g/mol
Exact Mass327.20
IUPAC Name[3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine
SMILESCc1cccc(C=CCC(c2ccccc2)c2cccc(CN)c2)c1
InChIInChI=1S/C24H25N/c1-19-8-5-9-20(16-19)10-7-15-24(22-12-3-2-4-13-22)23-14-6-11-21(17-23)18-25/h2-14,16-17,24H,15,18,25H2,1H3
InChIKeyLCIYDUNKIPAOGR-UHFFFAOYSA-N
XLogP5.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
CID 174294452
1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
CID 174285880
1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
CID 174351857
1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
CID 102140920
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
phenylmethanamine;1-phenylpropylbenzene
CID 19985231
(3-methylphenyl)methyl-diphenyl-[(E)-3-phenylprop-2-enyl]phosphanium
CID 6333479
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
(3-propan-2-ylphenyl)methanamine
CID 21085835
1-methyl-3-pent-1-enylbenzene
CID 54093666
1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
CID 143443436

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine?
The IUPAC name of [3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine (CID 174283002) is [3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine.
What is the SMILES notation for [3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine?
The canonical SMILES for [3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine is Cc1cccc(C=CCC(c2ccccc2)c2cccc(CN)c2)c1.
What is the InChIKey of [3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine?
The InChIKey is LCIYDUNKIPAOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N/c1-19-8-5-9-20(16-19)10-7-15-24(22-12-3-2-4-13-22)23-14-6-11-21(17-23)18-25/h2-14,16-17,24H,15,18,25H2,1H3.
What are the key properties of [3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine?
[3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine has a molecular weight of 327.47 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine is sourced from PubChem (CID 174283002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).