2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride

C12H20ClNO — CID 170891844

IUPAC2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
SMILESCc1cc(C)c(CC(N)CO)c(C)c1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-8-4-9(2)12(10(3)5-8)6-11(13)7-14;/h4-5,11,14H,6-7,13H2,1-3H3;1H
InChIKeyVFCDXTLZQJOEMJ-UHFFFAOYSA-N
MW229.75 g/mol
LogP1.90
Rot. Bonds3

About 2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride

2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride (PubChem CID 170891844) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
PubChem CID170891844
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
SMILESCc1cc(C)c(CC(N)CO)c(C)c1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-8-4-9(2)12(10(3)5-8)6-11(13)7-14;/h4-5,11,14H,6-7,13H2,1-3H3;1H
InChIKeyVFCDXTLZQJOEMJ-UHFFFAOYSA-N
XLogP1.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride
CID 131885660
4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121218
4-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 113391370
2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170893059
1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine
CID 79086831
1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
2-amino-3-(3-fluoro-5-methylphenyl)propan-1-ol
CID 131115629
1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115829164
1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103214849
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride
CID 170892169

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride (CID 170891844) is 2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride is Cc1cc(C)c(CC(N)CO)c(C)c1.Cl.
What is the InChIKey of 2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride?
The InChIKey is VFCDXTLZQJOEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-8-4-9(2)12(10(3)5-8)6-11(13)7-14;/h4-5,11,14H,6-7,13H2,1-3H3;1H.
What are the key properties of 2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride?
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170891844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).