1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol

C14H22ClNOS — CID 112665146

IUPAC1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol
SMILESCSCC(C)N(C)CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNOS/c1-11(10-18-3)16(2)9-8-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyXMZSXWLKMSAQQW-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.45
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol

1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol (PubChem CID 112665146) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol
PubChem CID112665146
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol
SMILESCSCC(C)N(C)CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNOS/c1-11(10-18-3)16(2)9-8-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyXMZSXWLKMSAQQW-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol
CID 63489960
3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 104554768
1-(4-chlorophenyl)-3-[ethyl(propyl)amino]propan-1-ol
CID 55099257
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol
CID 112754618
4-[1-hydroxy-2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethyl]benzenecarbothioamide
CID 112659888
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664918
1-(4-chlorophenyl)-3-(N-ethylanilino)propan-1-ol
CID 62645445
1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol
CID 62628773
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol (CID 112665146) is 1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol is CSCC(C)N(C)CCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol?
The InChIKey is XMZSXWLKMSAQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-11(10-18-3)16(2)9-8-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,17H,8-10H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol?
1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol has a molecular weight of 287.86 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 112665146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).