(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride

C11H18ClNO — CID 131885660

IUPAC(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride
SMILESCc1ccc(C[C@H](N)CO)c(C)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-8-3-4-10(9(2)5-8)6-11(12)7-13;/h3-5,11,13H,6-7,12H2,1-2H3;1H/t11-;/m0./s1
InChIKeyKPUJFSNLRHOBTM-MERQFXBCSA-N
MW215.72 g/mol
LogP1.59
Rot. Bonds3

About (2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride

(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride (PubChem CID 131885660) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is (2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride
PubChem CID131885660
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride
SMILESCc1ccc(C[C@H](N)CO)c(C)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-8-3-4-10(9(2)5-8)6-11(12)7-13;/h3-5,11,13H,6-7,12H2,1-2H3;1H/t11-;/m0./s1
InChIKeyKPUJFSNLRHOBTM-MERQFXBCSA-N
XLogP1.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
(3S)-4-(2,4-dimethylphenyl)butane-1,3-diamine
CID 162376806
(3R)-3-amino-4-(2,4-dimethylphenyl)butanamide
CID 168863362
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol
CID 83928000
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol
CID 66932814
methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride
CID 70099503
2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170893543

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride (CID 131885660) is (2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride is Cc1ccc(C[C@H](N)CO)c(C)c1.Cl.
What is the InChIKey of (2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride?
The InChIKey is KPUJFSNLRHOBTM-MERQFXBCSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-8-3-4-10(9(2)5-8)6-11(12)7-13;/h3-5,11,13H,6-7,12H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride?
(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 1.59, 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-(2,4-dimethylphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 131885660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).