(2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol

C14H14ClNO2 — CID 66516023

IUPAC(2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol
SMILESN[C@H](CO)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO2/c15-11-3-7-13(8-4-11)18-12-5-1-10(2-6-12)14(16)9-17/h1-8,14,17H,9,16H2/t14-/m1/s1
InChIKeyUPBVKZAQGXEJKT-CQSZACIVSA-N
MW263.72 g/mol
LogP3.12
Rot. Bonds4

About (2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol

(2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol (PubChem CID 66516023) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol
PubChem CID66516023
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name(2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol
SMILESN[C@H](CO)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO2/c15-11-3-7-13(8-4-11)18-12-5-1-10(2-6-12)14(16)9-17/h1-8,14,17H,9,16H2/t14-/m1/s1
InChIKeyUPBVKZAQGXEJKT-CQSZACIVSA-N
XLogP3.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea
CID 124565420
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513
(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515284
(2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515285
[4-(1-amino-2-hydroxyethyl)phenyl] methanesulfonate
CID 117334239

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol (CID 66516023) is (2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol is N[C@H](CO)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol?
The InChIKey is UPBVKZAQGXEJKT-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14ClNO2/c15-11-3-7-13(8-4-11)18-12-5-1-10(2-6-12)14(16)9-17/h1-8,14,17H,9,16H2/t14-/m1/s1.
What are the key properties of (2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol?
(2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol has a molecular weight of 263.72 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol is sourced from PubChem (CID 66516023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).