(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol

C17H20ClNO2 — CID 2106515

IUPAC(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol
SMILESCN(CCOc1ccc(Cl)cc1)C[C@@H](O)c1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-19(13-17(20)14-5-3-2-4-6-14)11-12-21-16-9-7-15(18)8-10-16/h2-10,17,20H,11-13H2,1H3/t17-/m1/s1
InChIKeyKOFWLPMUYUZEFP-QGZVFWFLSA-N
MW305.81 g/mol
LogP3.38
Rot. Bonds7

About (1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol

(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol (PubChem CID 2106515) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is (1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol
PubChem CID2106515
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol
SMILESCN(CCOc1ccc(Cl)cc1)C[C@@H](O)c1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-19(13-17(20)14-5-3-2-4-6-14)11-12-21-16-9-7-15(18)8-10-16/h2-10,17,20H,11-13H2,1H3/t17-/m1/s1
InChIKeyKOFWLPMUYUZEFP-QGZVFWFLSA-N
XLogP3.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol
CID 112768273
1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908142
3-[[2-hydroxy-2-(4-propoxyphenyl)ethyl]-methylamino]propanoic acid
CID 82216140
(1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol
CID 70593836
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide
CID 112792657
2-[4-[1-(4-chlorophenyl)-2-phenylbutyl]phenoxy]-N,N-dimethylethanamine
CID 70013344
3-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216131
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide
CID 71944034
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
CID 39750578
(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol
CID 30980110
1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18278682

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol?
The IUPAC name of (1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol (CID 2106515) is (1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol?
The canonical SMILES for (1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol is CN(CCOc1ccc(Cl)cc1)C[C@@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol?
The InChIKey is KOFWLPMUYUZEFP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-19(13-17(20)14-5-3-2-4-6-14)11-12-21-16-9-7-15(18)8-10-16/h2-10,17,20H,11-13H2,1H3/t17-/m1/s1.
What are the key properties of (1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol?
(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol has a molecular weight of 305.81 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol is sourced from PubChem (CID 2106515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).