2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol

C10H14ClNO — CID 84775613

IUPAC2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol
SMILESCc1cc(C(O)CN)cc(C)c1Cl
InChIInChI=1S/C10H14ClNO/c1-6-3-8(9(13)5-12)4-7(2)10(6)11/h3-4,9,13H,5,12H2,1-2H3
InChIKeyNXYHOQNTXXNTIP-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.95
Rot. Bonds2

About 2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol

2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol (PubChem CID 84775613) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol
PubChem CID84775613
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol
SMILESCc1cc(C(O)CN)cc(C)c1Cl
InChIInChI=1S/C10H14ClNO/c1-6-3-8(9(13)5-12)4-7(2)10(6)11/h3-4,9,13H,5,12H2,1-2H3
InChIKeyNXYHOQNTXXNTIP-UHFFFAOYSA-N
XLogP1.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol
CID 84671959
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
(1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol
CID 97293385
1-(4-chloro-3,5-dimethylphenyl)but-3-en-1-ol
CID 91655528
3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol
CID 84776533
5-(2-amino-1-hydroxyethyl)benzene-1,3-diol
CID 12534519
3-bromo-1-(4-chloro-3,5-dimethylphenyl)propane-1,2-diol
CID 171859812
2-amino-1-(1,7-dimethylindol-5-yl)ethanol
CID 84777937
2-amino-1-(3,4,5-triiodophenyl)ethanol
CID 18627989
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 22021331

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol?
The IUPAC name of 2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol (CID 84775613) is 2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol is Cc1cc(C(O)CN)cc(C)c1Cl.
What is the InChIKey of 2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol?
The InChIKey is NXYHOQNTXXNTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6-3-8(9(13)5-12)4-7(2)10(6)11/h3-4,9,13H,5,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol?
2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol has a molecular weight of 199.68 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 84775613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).