(2S)-2-amino-3-(4-methylphenyl)propan-1-ol

C10H15NO — CID 28804561

IUPAC(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C[C@H](N)CO)cc1
InChIInChI=1S/C10H15NO/c1-8-2-4-9(5-3-8)6-10(11)7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/s1
InChIKeyKGABCHNHTDSRSH-JTQLQIEISA-N
MW165.24 g/mol
LogP0.86
Rot. Bonds3

About (2S)-2-amino-3-(4-methylphenyl)propan-1-ol

(2S)-2-amino-3-(4-methylphenyl)propan-1-ol (PubChem CID 28804561) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
PubChem CID28804561
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C[C@H](N)CO)cc1
InChIInChI=1S/C10H15NO/c1-8-2-4-9(5-3-8)6-10(11)7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/s1
InChIKeyKGABCHNHTDSRSH-JTQLQIEISA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170893059
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
CID 178163146
(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
3-methyl-1-(4-methylphenyl)but-3-en-2-amine
CID 79190743
[4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid
CID 101159032
2-amino-3-(3-fluoro-5-methylphenyl)propan-1-ol
CID 131115629

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-3-(4-methylphenyl)propan-1-ol (CID 28804561) is (2S)-2-amino-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-(4-methylphenyl)propan-1-ol is Cc1ccc(C[C@H](N)CO)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-methylphenyl)propan-1-ol?
The InChIKey is KGABCHNHTDSRSH-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NO/c1-8-2-4-9(5-3-8)6-10(11)7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-methylphenyl)propan-1-ol?
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 0.86, 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-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 28804561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).