(2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol

C17H21NO — CID 702733

IUPAC(2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol
SMILESCC(C)[C@@H](N)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3/t16-/m1/s1
InChIKeyLNQVZZGGOZBOQS-MRXNPFEDSA-N
MW255.36 g/mol
LogP2.91
Rot. Bonds4

About (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol

(2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol (PubChem CID 702733) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol
PubChem CID702733
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol
SMILESCC(C)[C@@H](N)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3/t16-/m1/s1
InChIKeyLNQVZZGGOZBOQS-MRXNPFEDSA-N
XLogP2.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol?
The IUPAC name of (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol (CID 702733) is (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol?
The canonical SMILES for (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol is CC(C)[C@@H](N)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol?
The InChIKey is LNQVZZGGOZBOQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol?
(2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol is sourced from PubChem (CID 702733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).