1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol

C17H20ClNOS — CID 54171136

IUPAC1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)c1ccc(Sc2ccccc2Cl)cc1
InChIInChI=1S/C17H20ClNOS/c1-19(2)12-11-16(20)13-7-9-14(10-8-13)21-17-6-4-3-5-15(17)18/h3-10,16,20H,11-12H2,1-2H3
InChIKeyOVCOHIKAQPFINC-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.48
Rot. Bonds6

About 1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol

1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol (PubChem CID 54171136) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol
PubChem CID54171136
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)c1ccc(Sc2ccccc2Cl)cc1
InChIInChI=1S/C17H20ClNOS/c1-19(2)12-11-16(20)13-7-9-14(10-8-13)21-17-6-4-3-5-15(17)18/h3-10,16,20H,11-12H2,1-2H3
InChIKeyOVCOHIKAQPFINC-UHFFFAOYSA-N
XLogP4.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
1-(4-cyclopentylsulfanylphenyl)-3-(dimethylamino)propan-1-ol
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1-[4-(2-chlorophenyl)sulfanylphenyl]-N-methylethanamine
CID 43286279
(2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]-4-(dimethylamino)butanenitrile
CID 827188
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
4-[3-(dimethylamino)-1-hydroxypropyl]benzonitrile
CID 19025856
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 82073798
1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol
CID 114727142
3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 167979146

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol?
The IUPAC name of 1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol (CID 54171136) is 1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol is CN(C)CCC(O)c1ccc(Sc2ccccc2Cl)cc1.
What is the InChIKey of 1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol?
The InChIKey is OVCOHIKAQPFINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-19(2)12-11-16(20)13-7-9-14(10-8-13)21-17-6-4-3-5-15(17)18/h3-10,16,20H,11-12H2,1-2H3.
What are the key properties of 1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol?
1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol has a molecular weight of 321.87 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 54171136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).