1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol

C18H29NOS — CID 20573848

IUPAC1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
SMILESCC(CN(C)C)C(O)c1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C18H29NOS/c1-14(13-19(2)3)18(20)15-9-11-17(12-10-15)21-16-7-5-4-6-8-16/h9-12,14,16,18,20H,4-8,13H2,1-3H3
InChIKeyPPCLRMTUMBXALT-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.34
Rot. Bonds6

About 1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol

1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol (PubChem CID 20573848) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
PubChem CID20573848
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
SMILESCC(CN(C)C)C(O)c1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C18H29NOS/c1-14(13-19(2)3)18(20)15-9-11-17(12-10-15)21-16-7-5-4-6-8-16/h9-12,14,16,18,20H,4-8,13H2,1-3H3
InChIKeyPPCLRMTUMBXALT-UHFFFAOYSA-N
XLogP4.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol
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1-(4-cyclopentylsulfanylphenyl)-3-(dimethylamino)propan-1-ol
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3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine
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1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine
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1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol
CID 20573539
3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573036
N-butan-2-yl-4-cyclopentylsulfanylaniline
CID 43726330
3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62618121
1-tert-butyl-4-cyclohexylsulfanylbenzene
CID 22367519
1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol
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CID 60885973

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol?
The IUPAC name of 1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol (CID 20573848) is 1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol is CC(CN(C)C)C(O)c1ccc(SC2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol?
The InChIKey is PPCLRMTUMBXALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-14(13-19(2)3)18(20)15-9-11-17(12-10-15)21-16-7-5-4-6-8-16/h9-12,14,16,18,20H,4-8,13H2,1-3H3.
What are the key properties of 1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol?
1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol has a molecular weight of 307.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 20573848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).