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

C10H15NO — CID 86327369

IUPAC(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc([C@@H](CN)CO)c1
InChIInChI=1S/C10H15NO/c1-8-3-2-4-9(5-8)10(6-11)7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/s1
InChIKeyRFGSESSVOLYUNI-JTQLQIEISA-N
MW165.24 g/mol
LogP1.03
Rot. Bonds3

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

(2S)-3-amino-2-(3-methylphenyl)propan-1-ol (PubChem CID 86327369) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S)-3-amino-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
PubChem CID86327369
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc([C@@H](CN)CO)c1
InChIInChI=1S/C10H15NO/c1-8-3-2-4-9(5-8)10(6-11)7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/s1
InChIKeyRFGSESSVOLYUNI-JTQLQIEISA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
4-amino-2-(3-methylphenyl)butan-1-ol
CID 115015469
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol
CID 90041405
2-(3-methylphenyl)undecan-1-ol
CID 79417930
3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 114933703
2-(3-methylphenyl)propan-1-ol
CID 21478686
3-(3-methylphenyl)pentan-1-amine
CID 82074944
3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417014
2-aminooxy-2-(3-methylphenyl)ethanol
CID 105433392
4-amino-3-(3-methylphenyl)butan-2-ol
CID 65187843

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of (2S)-3-amino-2-(3-methylphenyl)propan-1-ol (CID 86327369) is (2S)-3-amino-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for (2S)-3-amino-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for (2S)-3-amino-2-(3-methylphenyl)propan-1-ol is Cc1cccc([C@@H](CN)CO)c1.
What is the InChIKey of (2S)-3-amino-2-(3-methylphenyl)propan-1-ol?
The InChIKey is RFGSESSVOLYUNI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NO/c1-8-3-2-4-9(5-8)10(6-11)7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-3-amino-2-(3-methylphenyl)propan-1-ol?
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 86327369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).