1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone

C24H25NO2 — CID 70277293

IUPAC1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2)c([C@H](CCN)c2ccccc2)c1
InChIInChI=1S/C24H25NO2/c1-18(26)21-12-13-24(27-17-19-8-4-2-5-9-19)23(16-21)22(14-15-25)20-10-6-3-7-11-20/h2-13,16,22H,14-15,17,25H2,1H3/t22-/m1/s1
InChIKeyXABVTTHPNRFHNV-JOCHJYFZSA-N
MW359.47 g/mol
LogP4.95
Rot. Bonds8

About 1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone

1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone (PubChem CID 70277293) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone
PubChem CID70277293
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2)c([C@H](CCN)c2ccccc2)c1
InChIInChI=1S/C24H25NO2/c1-18(26)21-12-13-24(27-17-19-8-4-2-5-9-19)23(16-21)22(14-15-25)20-10-6-3-7-11-20/h2-13,16,22H,14-15,17,25H2,1H3/t22-/m1/s1
InChIKeyXABVTTHPNRFHNV-JOCHJYFZSA-N
XLogP4.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone with MolForge

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Related Compounds

1-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanol;1-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone
CID 159180962
3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine
CID 141002996
3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide
CID 67659697
(5-acetyl-2-phenylmethoxyphenyl)urea
CID 21435558
3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol
CID 11290507
[(methyl-λ3-iodanylidene)amino] 3-(1-phenylethyl)-4-phenylmethoxybenzoate
CID 163613497
(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one
CID 59906121
ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate
CID 21435529
[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]methanol
CID 15434420
but-2-enedioic acid;[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]methanol
CID 71258122
3-[1-[3-[di(propan-2-yl)amino]phenyl]propyl]-4-phenylmethoxybenzoic acid
CID 66779710
N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide
CID 71215029

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone?
The IUPAC name of 1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone (CID 70277293) is 1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone is CC(=O)c1ccc(OCc2ccccc2)c([C@H](CCN)c2ccccc2)c1.
What is the InChIKey of 1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone?
The InChIKey is XABVTTHPNRFHNV-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25NO2/c1-18(26)21-12-13-24(27-17-19-8-4-2-5-9-19)23(16-21)22(14-15-25)20-10-6-3-7-11-20/h2-13,16,22H,14-15,17,25H2,1H3/t22-/m1/s1.
What are the key properties of 1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone?
1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone has a molecular weight of 359.47 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone is sourced from PubChem (CID 70277293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).