(2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol

C18H23NO — CID 10333308

IUPAC(2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol
SMILESCC(C)(C)[C@H](N)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-17(2,3)16(19)18(20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,20H,19H2,1-3H3/t16-/m0/s1
InChIKeyHZIHDWNOPKIOCK-INIZCTEOSA-N
MW269.39 g/mol
LogP3.30
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol

(2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol (PubChem CID 10333308) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol
PubChem CID10333308
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol
SMILESCC(C)(C)[C@H](N)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-17(2,3)16(19)18(20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,20H,19H2,1-3H3/t16-/m0/s1
InChIKeyHZIHDWNOPKIOCK-INIZCTEOSA-N
XLogP3.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10297
Cathine
CID 441457
Pipradrol
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(1S,2R)-(+)-Norephedrine
CID 4786
(-)-Norpseudoephedrine
CID 162265
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1S,2R)-(+)-2-Amino-1,2-diphenylethanol
CID 719822
Pipradrol Hydrochloride
CID 66008
Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-
CID 4945
Diphenylprolinol
CID 204386
2-Amino-1-phenylbutan-1-ol
CID 22187
Benzhydrol, alpha-(2-(dimethylamino)ethyl)-, hydrochloride
CID 201597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol (CID 10333308) is (2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol is CC(C)(C)[C@H](N)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol?
The InChIKey is HZIHDWNOPKIOCK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23NO/c1-17(2,3)16(19)18(20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,20H,19H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol?
(2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol is sourced from PubChem (CID 10333308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).