(1S,2S)-2-amino-1-phenylbutan-1-ol

C10H15NO — CID 36689126

IUPAC(1S,2S)-2-amino-1-phenylbutan-1-ol
SMILESCC[C@H](N)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H15NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9-10,12H,2,11H2,1H3/t9-,10-/m0/s1
InChIKeyUOZNVPFVNBRISY-UWVGGRQHSA-N
MW165.24 g/mol
LogP1.46
Rot. Bonds3

About (1S,2S)-2-amino-1-phenylbutan-1-ol

(1S,2S)-2-amino-1-phenylbutan-1-ol (PubChem CID 36689126) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1S,2S)-2-amino-1-phenylbutan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-amino-1-phenylbutan-1-ol
PubChem CID36689126
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1S,2S)-2-amino-1-phenylbutan-1-ol
SMILESCC[C@H](N)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H15NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9-10,12H,2,11H2,1H3/t9-,10-/m0/s1
InChIKeyUOZNVPFVNBRISY-UWVGGRQHSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
CID 43566119
(1S,2R)-2-amino-1-(3-aminophenyl)butan-1-ol
CID 131093419
(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol
CID 58420104
2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol
CID 115527154
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
2,4-diamino-1-phenylbutan-1-ol
CID 83936523
2-amino-1-phenyloctan-1-ol;hydrochloride
CID 138400765
2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 43566144
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
2-amino-1,4-diphenylbutan-1-ol
CID 10847700
1,2-diphenylethane-1,2-diol
CID 159073808

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-1-phenylbutan-1-ol?
The IUPAC name of (1S,2S)-2-amino-1-phenylbutan-1-ol (CID 36689126) is (1S,2S)-2-amino-1-phenylbutan-1-ol.
What is the SMILES notation for (1S,2S)-2-amino-1-phenylbutan-1-ol?
The canonical SMILES for (1S,2S)-2-amino-1-phenylbutan-1-ol is CC[C@H](N)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2S)-2-amino-1-phenylbutan-1-ol?
The InChIKey is UOZNVPFVNBRISY-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9-10,12H,2,11H2,1H3/t9-,10-/m0/s1.
What are the key properties of (1S,2S)-2-amino-1-phenylbutan-1-ol?
(1S,2S)-2-amino-1-phenylbutan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-1-phenylbutan-1-ol is sourced from PubChem (CID 36689126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).