(1S)-2-amino-1-(4-chlorophenyl)ethanol

C8H10ClNO — CID 7015635

IUPAC(1S)-2-amino-1-(4-chlorophenyl)ethanol
SMILESNC[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1
InChIKeyQPHAZZJNYDEVHL-MRVPVSSYSA-N
MW171.63 g/mol
LogP1.33
Rot. Bonds2

About (1S)-2-amino-1-(4-chlorophenyl)ethanol

(1S)-2-amino-1-(4-chlorophenyl)ethanol (PubChem CID 7015635) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is (1S)-2-amino-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(4-chlorophenyl)ethanol
PubChem CID7015635
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name(1S)-2-amino-1-(4-chlorophenyl)ethanol
SMILESNC[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1
InChIKeyQPHAZZJNYDEVHL-MRVPVSSYSA-N
XLogP1.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.33
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-chlorophenyl)ethanol?
The IUPAC name of (1S)-2-amino-1-(4-chlorophenyl)ethanol (CID 7015635) is (1S)-2-amino-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(4-chlorophenyl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(4-chlorophenyl)ethanol is NC[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-2-amino-1-(4-chlorophenyl)ethanol?
The InChIKey is QPHAZZJNYDEVHL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H10ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1.
What are the key properties of (1S)-2-amino-1-(4-chlorophenyl)ethanol?
(1S)-2-amino-1-(4-chlorophenyl)ethanol has a molecular weight of 171.63 g/mol, XLogP of 1.33, 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-chlorophenyl)ethanol is sourced from PubChem (CID 7015635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).