(2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol

C24H27NO — CID 101095551

IUPAC(2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol
SMILESCC(C)[C@H](NCc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO/c1-19(2)23(25-18-20-12-6-3-7-13-20)24(26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23,25-26H,18H2,1-2H3/t23-/m0/s1
InChIKeyOPTBOGGMTRQPQE-QHCPKHFHSA-N
MW345.49 g/mol
LogP4.74
Rot. Bonds7

About (2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol

(2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol (PubChem CID 101095551) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is (2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol
PubChem CID101095551
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name(2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol
SMILESCC(C)[C@H](NCc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO/c1-19(2)23(25-18-20-12-6-3-7-13-20)24(26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23,25-26H,18H2,1-2H3/t23-/m0/s1
InChIKeyOPTBOGGMTRQPQE-QHCPKHFHSA-N
XLogP4.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol 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

(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide
CID 122228094
(1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol
CID 102600646
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-benzyl-2-deuterio-3-methylbutan-2-amine
CID 155272409
2-(benzylamino)-3,3-dimethylbutan-1-ol
CID 54563298
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
N-benzyl-1-silylethanamine
CID 173405128
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
N-benzyl-2-methyl-5-phenylhex-5-en-3-amine
CID 102298345
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol
CID 11109270
4-(benzylamino)hexan-3-ol
CID 123502120

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol?
The IUPAC name of (2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol (CID 101095551) is (2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol.
What is the SMILES notation for (2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol?
The canonical SMILES for (2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol is CC(C)[C@H](NCc1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol?
The InChIKey is OPTBOGGMTRQPQE-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27NO/c1-19(2)23(25-18-20-12-6-3-7-13-20)24(26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23,25-26H,18H2,1-2H3/t23-/m0/s1.
What are the key properties of (2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol?
(2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol has a molecular weight of 345.49 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol is sourced from PubChem (CID 101095551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).