(2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol

C25H29NO — CID 124808457

IUPAC(2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol
SMILESC[C@@H](CN(C)Cc1ccccc1)[C@](O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO/c1-21(19-26(2)20-23-14-8-4-9-15-23)25(27,24-16-10-5-11-17-24)18-22-12-6-3-7-13-22/h3-17,21,27H,18-20H2,1-2H3/t21-,25+/m0/s1
InChIKeyUNNQDXMODLDYNT-SQJMNOBHSA-N
MW359.51 g/mol
LogP4.89
Rot. Bonds8

About (2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol

(2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol (PubChem CID 124808457) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is (2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol
PubChem CID124808457
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name(2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol
SMILESC[C@@H](CN(C)Cc1ccccc1)[C@](O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO/c1-21(19-26(2)20-23-14-8-4-9-15-23)25(27,24-16-10-5-11-17-24)18-22-12-6-3-7-13-22/h3-17,21,27H,18-20H2,1-2H3/t21-,25+/m0/s1
InChIKeyUNNQDXMODLDYNT-SQJMNOBHSA-N
XLogP4.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
(2S,3R)-3-deuteriooxy-N,N,2-trimethyl-3,4-diphenylbutan-1-amine
CID 87815163
(3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride
CID 44723488
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol
CID 57245226
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine
CID 162416433
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol
CID 70515525
(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one
CID 94514227

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol?
The IUPAC name of (2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol (CID 124808457) is (2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol?
The canonical SMILES for (2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol is C[C@@H](CN(C)Cc1ccccc1)[C@](O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol?
The InChIKey is UNNQDXMODLDYNT-SQJMNOBHSA-N. The full InChI is InChI=1S/C25H29NO/c1-21(19-26(2)20-23-14-8-4-9-15-23)25(27,24-16-10-5-11-17-24)18-22-12-6-3-7-13-22/h3-17,21,27H,18-20H2,1-2H3/t21-,25+/m0/s1.
What are the key properties of (2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol?
(2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol has a molecular weight of 359.51 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol is sourced from PubChem (CID 124808457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).