(E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine

C18H21NO — CID 10539781

IUPAC(E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine
SMILESCOc1ccc(C/C(C)=C/C(N)c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-14(12-15-8-10-17(20-2)11-9-15)13-18(19)16-6-4-3-5-7-16/h3-11,13,18H,12,19H2,1-2H3/b14-13+
InChIKeySANKDZTYTPBLIO-BUHFOSPRSA-N
MW267.37 g/mol
LogP3.88
Rot. Bonds5

About (E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine

(E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine (PubChem CID 10539781) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine
PubChem CID10539781
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine
SMILESCOc1ccc(C/C(C)=C/C(N)c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-14(12-15-8-10-17(20-2)11-9-15)13-18(19)16-6-4-3-5-7-16/h3-11,13,18H,12,19H2,1-2H3/b14-13+
InChIKeySANKDZTYTPBLIO-BUHFOSPRSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one
CID 164976966
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
CID 101240761
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide
CID 114300105
N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
CID 6005812
ethyl 4-(4-methoxyphenyl)-3-methylbut-2-enoate
CID 54482573
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine?
The IUPAC name of (E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine (CID 10539781) is (E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine.
What is the SMILES notation for (E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine?
The canonical SMILES for (E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine is COc1ccc(C/C(C)=C/C(N)c2ccccc2)cc1.
What is the InChIKey of (E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine?
The InChIKey is SANKDZTYTPBLIO-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H21NO/c1-14(12-15-8-10-17(20-2)11-9-15)13-18(19)16-6-4-3-5-7-16/h3-11,13,18H,12,19H2,1-2H3/b14-13+.
What are the key properties of (E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine?
(E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine is sourced from PubChem (CID 10539781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).