2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol

C18H29NOS — CID 70554945

IUPAC2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
SMILESCC(C)Sc1ccc(C(O)C(C)NC2CCCCC2)cc1
InChIInChI=1S/C18H29NOS/c1-13(2)21-17-11-9-15(10-12-17)18(20)14(3)19-16-7-5-4-6-8-16/h9-14,16,18-20H,4-8H2,1-3H3
InChIKeyKJGCWLMDZJMFKA-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.53
Rot. Bonds6

About 2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol

2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol (PubChem CID 70554945) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
PubChem CID70554945
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
SMILESCC(C)Sc1ccc(C(O)C(C)NC2CCCCC2)cc1
InChIInChI=1S/C18H29NOS/c1-13(2)21-17-11-9-15(10-12-17)18(20)14(3)19-16-7-5-4-6-8-16/h9-14,16,18-20H,4-8H2,1-3H3
InChIKeyKJGCWLMDZJMFKA-UHFFFAOYSA-N
XLogP4.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82312791
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
2-[[(1R,3S)-3-phenylcyclohexyl]amino]-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride
CID 70455581
2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol
CID 112514142
2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316057
2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride
CID 3042918
2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol
CID 82316270
2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82315043
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 82314361
N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
CID 43189980

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol (CID 70554945) is 2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol is CC(C)Sc1ccc(C(O)C(C)NC2CCCCC2)cc1.
What is the InChIKey of 2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol?
The InChIKey is KJGCWLMDZJMFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-13(2)21-17-11-9-15(10-12-17)18(20)14(3)19-16-7-5-4-6-8-16/h9-14,16,18-20H,4-8H2,1-3H3.
What are the key properties of 2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol?
2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol has a molecular weight of 307.50 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 70554945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).