1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol

C22H29NOS — CID 20573539

IUPAC1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNCC(O)C(c1ccccc1)c1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C22H29NOS/c1-23-16-21(24)22(17-8-4-2-5-9-17)18-12-14-20(15-13-18)25-19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,21-24H,3,6-7,10-11,16H2,1H3
InChIKeyYJRIDYPQWXCYEY-UHFFFAOYSA-N
MW355.55 g/mol
LogP4.82
Rot. Bonds7

About 1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol

1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol (PubChem CID 20573539) has the molecular formula C22H29NOS and a molecular weight of 355.55 g/mol. Its IUPAC name is 1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol
PubChem CID20573539
Molecular FormulaC22H29NOS
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC Name1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNCC(O)C(c1ccccc1)c1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C22H29NOS/c1-23-16-21(24)22(17-8-4-2-5-9-17)18-12-14-20(15-13-18)25-19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,21-24H,3,6-7,10-11,16H2,1H3
InChIKeyYJRIDYPQWXCYEY-UHFFFAOYSA-N
XLogP4.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine
CID 114066596
3-(4-cyclohexylsulfanylphenyl)-1-(dimethylamino)butan-2-ol
CID 20573536
2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol
CID 82499370
1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol
CID 20573336
1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 20573848
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094
1-(4-cyclopentylsulfanylphenyl)-3-(dimethylamino)propan-1-ol
CID 20573458
2-chloro-2-(4-cyclopentylsulfanylphenyl)acetic acid
CID 82488227
(1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol
CID 46211076
3-(2-methylpropylamino)-1,1-diphenylpropan-2-ol
CID 107292960
1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine
CID 66349185
1-tert-butyl-4-cyclohexylsulfanylbenzene
CID 22367519

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol?
The IUPAC name of 1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol (CID 20573539) is 1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for 1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol?
The canonical SMILES for 1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol is CNCC(O)C(c1ccccc1)c1ccc(SC2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol?
The InChIKey is YJRIDYPQWXCYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NOS/c1-23-16-21(24)22(17-8-4-2-5-9-17)18-12-14-20(15-13-18)25-19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,21-24H,3,6-7,10-11,16H2,1H3.
What are the key properties of 1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol?
1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol has a molecular weight of 355.55 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 20573539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).