(1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride

C17H22ClNO — CID 171271118

IUPAC(1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@@H](O)[C@@H](N)c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-2-7-16(19)17(18)15-11-6-10-14(12-15)13-8-4-3-5-9-13;/h3-6,8-12,16-17,19H,2,7,18H2,1H3;1H/t16-,17+;/m1./s1
InChIKeyOGBYACAYLCCBRZ-PPPUBMIESA-N
MW291.82 g/mol
LogP3.94
Rot. Bonds5

About (1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride (PubChem CID 171271118) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride
PubChem CID171271118
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name(1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@@H](O)[C@@H](N)c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-2-7-16(19)17(18)15-11-6-10-14(12-15)13-8-4-3-5-9-13;/h3-6,8-12,16-17,19H,2,7,18H2,1H3;1H/t16-,17+;/m1./s1
InChIKeyOGBYACAYLCCBRZ-PPPUBMIESA-N
XLogP3.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride
CID 171162121
(1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride
CID 171214579
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171161781
(1S,2R)-1-amino-1-(3-iodophenyl)hexan-2-ol;hydrochloride
CID 171269945
5-[(1S,2R)-1-amino-2-hydroxypentyl]benzene-1,3-diol;hydrochloride
CID 171266831
(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride
CID 171262306
(1S,2R)-1-amino-1-(3,4-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171162200
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)pentan-2-ol;hydrochloride
CID 171262216
6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
CID 171261493
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride
CID 171160232
4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
CID 171162104
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride (CID 171271118) is (1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride is CCC[C@@H](O)[C@@H](N)c1cccc(-c2ccccc2)c1.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride?
The InChIKey is OGBYACAYLCCBRZ-PPPUBMIESA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-2-7-16(19)17(18)15-11-6-10-14(12-15)13-8-4-3-5-9-13;/h3-6,8-12,16-17,19H,2,7,18H2,1H3;1H/t16-,17+;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride is sourced from PubChem (CID 171271118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).