(2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol

C19H24ClNO2 — CID 125466418

IUPAC(2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol
SMILESCN(C)CCOc1ccc([C@@](C)(O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClNO2/c1-19(22,14-15-4-8-17(20)9-5-15)16-6-10-18(11-7-16)23-13-12-21(2)3/h4-11,22H,12-14H2,1-3H3/t19-/m0/s1
InChIKeyNLCUSWXIXYNACE-IBGZPJMESA-N
MW333.86 g/mol
LogP3.73
Rot. Bonds7

About (2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol

(2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol (PubChem CID 125466418) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol
PubChem CID125466418
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name(2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol
SMILESCN(C)CCOc1ccc([C@@](C)(O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClNO2/c1-19(22,14-15-4-8-17(20)9-5-15)16-6-10-18(11-7-16)23-13-12-21(2)3/h4-11,22H,12-14H2,1-3H3/t19-/m0/s1
InChIKeyNLCUSWXIXYNACE-IBGZPJMESA-N
XLogP3.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
(4-chlorophenyl)-[4-[2-(dimethylamino)ethoxy]phenyl]borinic acid
CID 66918163
2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 162640325
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(4-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methylphenyl)ethanol
CID 69460593
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145380
4-(4-tert-butylphenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
CID 167786860
2-[4-[(Z)-4-chloro-1,2-bis(4-chlorophenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 10116364
(4-chlorophenyl)methyl 3-(4-tert-butylphenoxy)propanoate
CID 2370573
2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine;hydrochloride
CID 11223

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol?
The IUPAC name of (2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol (CID 125466418) is (2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol?
The canonical SMILES for (2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol is CN(C)CCOc1ccc([C@@](C)(O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol?
The InChIKey is NLCUSWXIXYNACE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-19(22,14-15-4-8-17(20)9-5-15)16-6-10-18(11-7-16)23-13-12-21(2)3/h4-11,22H,12-14H2,1-3H3/t19-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol?
(2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol has a molecular weight of 333.86 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol is sourced from PubChem (CID 125466418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).