2-amino-2-(4-chloro-3-ethylphenyl)ethanol

C10H14ClNO — CID 166687598

IUPAC2-amino-2-(4-chloro-3-ethylphenyl)ethanol
SMILESCCc1cc(C(N)CO)ccc1Cl
InChIInChI=1S/C10H14ClNO/c1-2-7-5-8(10(12)6-13)3-4-9(7)11/h3-5,10,13H,2,6,12H2,1H3
InChIKeyIPZOBZFQQKPGIO-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.89
Rot. Bonds3

About 2-amino-2-(4-chloro-3-ethylphenyl)ethanol

2-amino-2-(4-chloro-3-ethylphenyl)ethanol (PubChem CID 166687598) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-amino-2-(4-chloro-3-ethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-chloro-3-ethylphenyl)ethanol
PubChem CID166687598
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-amino-2-(4-chloro-3-ethylphenyl)ethanol
SMILESCCc1cc(C(N)CO)ccc1Cl
InChIInChI=1S/C10H14ClNO/c1-2-7-5-8(10(12)6-13)3-4-9(7)11/h3-5,10,13H,2,6,12H2,1H3
InChIKeyIPZOBZFQQKPGIO-UHFFFAOYSA-N
XLogP1.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol
CID 117310399
2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol
CID 117331573
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride
CID 133268754
methyl 5-[(1S)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride
CID 91825956
1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one
CID 131057719
(2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol
CID 66515616
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chloro-3-ethylphenyl)ethanol?
The IUPAC name of 2-amino-2-(4-chloro-3-ethylphenyl)ethanol (CID 166687598) is 2-amino-2-(4-chloro-3-ethylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-chloro-3-ethylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(4-chloro-3-ethylphenyl)ethanol is CCc1cc(C(N)CO)ccc1Cl.
What is the InChIKey of 2-amino-2-(4-chloro-3-ethylphenyl)ethanol?
The InChIKey is IPZOBZFQQKPGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-2-7-5-8(10(12)6-13)3-4-9(7)11/h3-5,10,13H,2,6,12H2,1H3.
What are the key properties of 2-amino-2-(4-chloro-3-ethylphenyl)ethanol?
2-amino-2-(4-chloro-3-ethylphenyl)ethanol has a molecular weight of 199.68 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chloro-3-ethylphenyl)ethanol is sourced from PubChem (CID 166687598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).