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

C9H12ClNO — CID 14853286

IUPAC2-amino-2-(3-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(C(N)CO)cc1Cl
InChIInChI=1S/C9H12ClNO/c1-6-2-3-7(4-8(6)10)9(11)5-12/h2-4,9,12H,5,11H2,1H3
InChIKeyCVZQAXGCNWNQJE-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.64
Rot. Bonds2

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

2-amino-2-(3-chloro-4-methylphenyl)ethanol (PubChem CID 14853286) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-chloro-4-methylphenyl)ethanol
PubChem CID14853286
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-amino-2-(3-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(C(N)CO)cc1Cl
InChIInChI=1S/C9H12ClNO/c1-6-2-3-7(4-8(6)10)9(11)5-12/h2-4,9,12H,5,11H2,1H3
InChIKeyCVZQAXGCNWNQJE-UHFFFAOYSA-N
XLogP1.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-4-methylphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-chloro-4-methylphenyl)ethanol (CID 14853286) is 2-amino-2-(3-chloro-4-methylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-chloro-4-methylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-chloro-4-methylphenyl)ethanol is Cc1ccc(C(N)CO)cc1Cl.
What is the InChIKey of 2-amino-2-(3-chloro-4-methylphenyl)ethanol?
The InChIKey is CVZQAXGCNWNQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6-2-3-7(4-8(6)10)9(11)5-12/h2-4,9,12H,5,11H2,1H3.
What are the key properties of 2-amino-2-(3-chloro-4-methylphenyl)ethanol?
2-amino-2-(3-chloro-4-methylphenyl)ethanol has a molecular weight of 185.65 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-4-methylphenyl)ethanol is sourced from PubChem (CID 14853286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).