(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol

C9H12ClNO — CID 95944344

IUPAC(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
SMILESCc1cc([C@H](O)CN)ccc1Cl
InChIInChI=1S/C9H12ClNO/c1-6-4-7(9(12)5-11)2-3-8(6)10/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1
InChIKeyNQONTWMOFYFEJF-SECBINFHSA-N
MW185.65 g/mol
LogP1.64
Rot. Bonds2

About (1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol

(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol (PubChem CID 95944344) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
PubChem CID95944344
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
SMILESCc1cc([C@H](O)CN)ccc1Cl
InChIInChI=1S/C9H12ClNO/c1-6-4-7(9(12)5-11)2-3-8(6)10/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1
InChIKeyNQONTWMOFYFEJF-SECBINFHSA-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 (1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol?
The IUPAC name of (1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol (CID 95944344) is (1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol is Cc1cc([C@H](O)CN)ccc1Cl.
What is the InChIKey of (1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol?
The InChIKey is NQONTWMOFYFEJF-SECBINFHSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6-4-7(9(12)5-11)2-3-8(6)10/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol?
(1S)-2-amino-1-(4-chloro-3-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 (1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol is sourced from PubChem (CID 95944344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).