2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine

C18H21NO — CID 123614414

IUPAC2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
SMILESCC(C)(N)C=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-18(2,19)13-12-15-8-10-17(11-9-15)20-14-16-6-4-3-5-7-16/h3-13H,14,19H2,1-2H3
InChIKeyVXHUQXVDDQKBIC-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.02
Rot. Bonds5

About 2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine

2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine (PubChem CID 123614414) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
PubChem CID123614414
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
SMILESCC(C)(N)C=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-18(2,19)13-12-15-8-10-17(11-9-15)20-14-16-6-4-3-5-7-16/h3-13H,14,19H2,1-2H3
InChIKeyVXHUQXVDDQKBIC-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
CID 118344224
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
4-phenylmethoxyaniline
CID 159966727
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane
CID 25214897
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene
CID 144528376
2-(4-phenylmethoxyphenyl)ethenone
CID 175186077
(E)-N-(diaminomethylidene)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 84549562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine?
The IUPAC name of 2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine (CID 123614414) is 2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine.
What is the SMILES notation for 2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine?
The canonical SMILES for 2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine is CC(C)(N)C=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine?
The InChIKey is VXHUQXVDDQKBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2,19)13-12-15-8-10-17(11-9-15)20-14-16-6-4-3-5-7-16/h3-13H,14,19H2,1-2H3.
What are the key properties of 2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine?
2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine has a molecular weight of 267.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine is sourced from PubChem (CID 123614414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).