(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol

C17H21NO — CID 129362138

IUPAC(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol
SMILESCN[C@H](C)CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-14(18-2)13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18-19H,13H2,1-2H3/t14-/m1/s1
InChIKeyPLDVTBCOVPASME-CQSZACIVSA-N
MW255.36 g/mol
LogP2.92
Rot. Bonds5

About (3R)-3-(methylamino)-1,1-diphenylbutan-1-ol

(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol (PubChem CID 129362138) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (3R)-3-(methylamino)-1,1-diphenylbutan-1-ol.

Molecular Properties

Compound Name(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol
PubChem CID129362138
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol
SMILESCN[C@H](C)CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-14(18-2)13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18-19H,13H2,1-2H3/t14-/m1/s1
InChIKeyPLDVTBCOVPASME-CQSZACIVSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
(6R)-6-(methylamino)-4,4-diphenylheptan-3-one
CID 131842164
3-methoxy-1,1-diphenylbutan-1-ol
CID 13380056
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
CID 89263226
CID 136819313
CID 136819313
(2R)-N-methyl-4-(2-methyltetrazol-5-yl)-4,4-diphenylbutan-2-amine
CID 125485908
3,5-dihydroxy-5,5-diphenylpentanenitrile
CID 102249687
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672
2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878
2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
CID 65107916
3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride
CID 3060750

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylamino)-1,1-diphenylbutan-1-ol?
The IUPAC name of (3R)-3-(methylamino)-1,1-diphenylbutan-1-ol (CID 129362138) is (3R)-3-(methylamino)-1,1-diphenylbutan-1-ol.
What is the SMILES notation for (3R)-3-(methylamino)-1,1-diphenylbutan-1-ol?
The canonical SMILES for (3R)-3-(methylamino)-1,1-diphenylbutan-1-ol is CN[C@H](C)CC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-(methylamino)-1,1-diphenylbutan-1-ol?
The InChIKey is PLDVTBCOVPASME-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(18-2)13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18-19H,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-(methylamino)-1,1-diphenylbutan-1-ol?
(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylamino)-1,1-diphenylbutan-1-ol is sourced from PubChem (CID 129362138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).