(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine

C20H25NO — CID 51526999

IUPAC(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
SMILESC=CCOc1ccc(CN[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-3-15-22-20-13-11-19(12-14-20)16-21-17(2)9-10-18-7-5-4-6-8-18/h3-8,11-14,17,21H,1,9-10,15-16H2,2H3/t17-/m1/s1
InChIKeyWUDLMIJVZBXQDI-QGZVFWFLSA-N
MW295.43 g/mol
LogP4.36
Rot. Bonds9

About (2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine

(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine (PubChem CID 51526999) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
PubChem CID51526999
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
SMILESC=CCOc1ccc(CN[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-3-15-22-20-13-11-19(12-14-20)16-21-17(2)9-10-18-7-5-4-6-8-18/h3-8,11-14,17,21H,1,9-10,15-16H2,2H3/t17-/m1/s1
InChIKeyWUDLMIJVZBXQDI-QGZVFWFLSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-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-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
2-[4-[(4-phenylbutan-2-ylamino)methyl]phenoxy]acetic acid
CID 17211434
N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide
CID 40746031
(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28556156
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 17156015
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211092
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61223960
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435056
N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide
CID 51991185

Frequently Asked Questions

What is the IUPAC name of (2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine?
The IUPAC name of (2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine (CID 51526999) is (2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine?
The canonical SMILES for (2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine is C=CCOc1ccc(CN[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of (2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine?
The InChIKey is WUDLMIJVZBXQDI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-15-22-20-13-11-19(12-14-20)16-21-17(2)9-10-18-7-5-4-6-8-18/h3-8,11-14,17,21H,1,9-10,15-16H2,2H3/t17-/m1/s1.
What are the key properties of (2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine?
(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 51526999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).