(E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine

C18H21NO — CID 117422190

IUPAC(E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
SMILESCc1cc(/C=C/CN)cc(C)c1OCc1ccccc1
InChIInChI=1S/C18H21NO/c1-14-11-17(9-6-10-19)12-15(2)18(14)20-13-16-7-4-3-5-8-16/h3-9,11-12H,10,13,19H2,1-2H3/b9-6+
InChIKeyBUVNFWKDHPZDQR-RMKNXTFCSA-N
MW267.37 g/mol
LogP3.85
Rot. Bonds5

About (E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine

(E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine (PubChem CID 117422190) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
PubChem CID117422190
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
SMILESCc1cc(/C=C/CN)cc(C)c1OCc1ccccc1
InChIInChI=1S/C18H21NO/c1-14-11-17(9-6-10-19)12-15(2)18(14)20-13-16-7-4-3-5-8-16/h3-9,11-12H,10,13,19H2,1-2H3/b9-6+
InChIKeyBUVNFWKDHPZDQR-RMKNXTFCSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117431293
(Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide
CID 170876730
(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214381
(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171234012
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine
CID 171244432
(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-fluoroethanamine
CID 171214379
(E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol
CID 11775336
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine
CID 60904917
O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117445197

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine (CID 117422190) is (E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine is Cc1cc(/C=C/CN)cc(C)c1OCc1ccccc1.
What is the InChIKey of (E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine?
The InChIKey is BUVNFWKDHPZDQR-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-11-17(9-6-10-19)12-15(2)18(14)20-13-16-7-4-3-5-8-16/h3-9,11-12H,10,13,19H2,1-2H3/b9-6+.
What are the key properties of (E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine?
(E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117422190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).