1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol

C19H24ClNOS — CID 24834788

IUPAC1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
SMILESCSc1ccc(Cl)cc1C(O)(CCCN(C)C)c1ccccc1
InChIInChI=1S/C19H24ClNOS/c1-21(2)13-7-12-19(22,15-8-5-4-6-9-15)17-14-16(20)10-11-18(17)23-3/h4-6,8-11,14,22H,7,12-13H2,1-3H3
InChIKeyABXDMKNQHSEOOB-UHFFFAOYSA-N
MW349.93 g/mol
LogP4.64
Rot. Bonds7

About 1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol

1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol (PubChem CID 24834788) has the molecular formula C19H24ClNOS and a molecular weight of 349.93 g/mol. Its IUPAC name is 1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
PubChem CID24834788
Molecular FormulaC19H24ClNOS
Molecular Weight349.93 g/mol
Exact Mass349.13
IUPAC Name1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
SMILESCSc1ccc(Cl)cc1C(O)(CCCN(C)C)c1ccccc1
InChIInChI=1S/C19H24ClNOS/c1-21(2)13-7-12-19(22,15-8-5-4-6-9-15)17-14-16(20)10-11-18(17)23-3/h4-6,8-11,14,22H,7,12-13H2,1-3H3
InChIKeyABXDMKNQHSEOOB-UHFFFAOYSA-N
XLogP4.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
CID 24834786
1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol
CID 52946911
4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 163905024
4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol
CID 19909925
(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 73415977
3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol
CID 116696329
1-(4-chloronaphthalen-1-yl)-4-(dimethylamino)-1-pyridin-4-ylbutan-1-ol
CID 547158
4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol
CID 13076854
6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol
CID 11834795
6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol
CID 70534520
4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol;oxalonitrile
CID 174662850
1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea
CID 54159371

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol?
The IUPAC name of 1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol (CID 24834788) is 1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol.
What is the SMILES notation for 1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol?
The canonical SMILES for 1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol is CSc1ccc(Cl)cc1C(O)(CCCN(C)C)c1ccccc1.
What is the InChIKey of 1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol?
The InChIKey is ABXDMKNQHSEOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNOS/c1-21(2)13-7-12-19(22,15-8-5-4-6-9-15)17-14-16(20)10-11-18(17)23-3/h4-6,8-11,14,22H,7,12-13H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol?
1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol has a molecular weight of 349.93 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol is sourced from PubChem (CID 24834788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).