(4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol

C26H31NO — CID 11559802

IUPAC(4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H](CC(C)(C)O)c1ccccc1
InChIInChI=1S/C26H31NO/c1-21(23-15-9-5-10-16-23)27(20-22-13-7-4-8-14-22)25(19-26(2,3)28)24-17-11-6-12-18-24/h4-18,21,25,28H,19-20H2,1-3H3/t21-,25+/m0/s1
InChIKeyGUUQUCXRTCMJEM-SQJMNOBHSA-N
MW373.54 g/mol
LogP6.15
Rot. Bonds8

About (4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol

(4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol (PubChem CID 11559802) has the molecular formula C26H31NO and a molecular weight of 373.54 g/mol. Its IUPAC name is (4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol
PubChem CID11559802
Molecular FormulaC26H31NO
Molecular Weight373.54 g/mol
Exact Mass373.24
IUPAC Name(4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H](CC(C)(C)O)c1ccccc1
InChIInChI=1S/C26H31NO/c1-21(23-15-9-5-10-16-23)27(20-22-13-7-4-8-14-22)25(19-26(2,3)28)24-17-11-6-12-18-24/h4-18,21,25,28H,19-20H2,1-3H3/t21-,25+/m0/s1
InChIKeyGUUQUCXRTCMJEM-SQJMNOBHSA-N
XLogP6.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol with MolForge

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Related Compounds

(4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol
CID 101252588
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
3-[benzyl(1-phenylethyl)amino]butanoic acid
CID 19790414
(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal
CID 101191721
tert-butyl (2S,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-methylbutanoate
CID 131736615
(E,3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-1-[(2-methylpropan-2-yl)oxy]-3-phenylprop-1-en-1-ol
CID 10364549
tert-butyl (2R,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-methylbutanoate
CID 131736616
tert-butyl (2S,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-hydroxybutanoate
CID 11089968
tert-butyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-(2-propan-2-ylsulfonylphenyl)propanoate
CID 58789289
3-[benzyl-[(1R)-1-phenylethyl]amino]-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 175017184
methyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-(4-methoxyphenyl)propanoate
CID 59896331
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol?
The IUPAC name of (4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol (CID 11559802) is (4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol.
What is the SMILES notation for (4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol?
The canonical SMILES for (4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol is C[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H](CC(C)(C)O)c1ccccc1.
What is the InChIKey of (4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol?
The InChIKey is GUUQUCXRTCMJEM-SQJMNOBHSA-N. The full InChI is InChI=1S/C26H31NO/c1-21(23-15-9-5-10-16-23)27(20-22-13-7-4-8-14-22)25(19-26(2,3)28)24-17-11-6-12-18-24/h4-18,21,25,28H,19-20H2,1-3H3/t21-,25+/m0/s1.
What are the key properties of (4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol?
(4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol has a molecular weight of 373.54 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol is sourced from PubChem (CID 11559802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).