[1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine

C17H25NOS — CID 117470986

IUPAC[1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2ccc(OC3CCSC3)cc2)CCCCC1
InChIInChI=1S/C17H25NOS/c18-13-17(9-2-1-3-10-17)14-4-6-15(7-5-14)19-16-8-11-20-12-16/h4-7,16H,1-3,8-13,18H2
InChIKeyZDFYEEBJWJACEY-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.73
Rot. Bonds4

About [1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine

[1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine (PubChem CID 117470986) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is [1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine
PubChem CID117470986
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name[1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2ccc(OC3CCSC3)cc2)CCCCC1
InChIInChI=1S/C17H25NOS/c18-13-17(9-2-1-3-10-17)14-4-6-15(7-5-14)19-16-8-11-20-12-16/h4-7,16H,1-3,8-13,18H2
InChIKeyZDFYEEBJWJACEY-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
CID 117402976
[1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117408251
1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine
CID 117445004
[1-[3-chloro-4-(thietan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117496547
1-[3-(thiolan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117413849
[1-[3-chloro-4-(thiolan-3-yl)phenyl]cyclohexyl]methanamine
CID 117494593
1-[1-[4-(thian-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117445027
[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine
CID 28937862
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine
CID 117467815
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine
CID 117438827

Frequently Asked Questions

What is the IUPAC name of [1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine (CID 117470986) is [1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine is NCC1(c2ccc(OC3CCSC3)cc2)CCCCC1.
What is the InChIKey of [1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine?
The InChIKey is ZDFYEEBJWJACEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c18-13-17(9-2-1-3-10-17)14-4-6-15(7-5-14)19-16-8-11-20-12-16/h4-7,16H,1-3,8-13,18H2.
What are the key properties of [1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine?
[1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine has a molecular weight of 291.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117470986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).