2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine

C17H21NS — CID 62621060

IUPAC2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESNC1(Cc2ccsc2)CCCCC1c1ccccc1
InChIInChI=1S/C17H21NS/c18-17(12-14-9-11-19-13-14)10-5-4-8-16(17)15-6-2-1-3-7-15/h1-3,6-7,9,11,13,16H,4-5,8,10,12,18H2
InChIKeyQOQLLLGPDNGQHS-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.35
Rot. Bonds3

About 2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine

2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine (PubChem CID 62621060) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine
PubChem CID62621060
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESNC1(Cc2ccsc2)CCCCC1c1ccccc1
InChIInChI=1S/C17H21NS/c18-17(12-14-9-11-19-13-14)10-5-4-8-16(17)15-6-2-1-3-7-15/h1-3,6-7,9,11,13,16H,4-5,8,10,12,18H2
InChIKeyQOQLLLGPDNGQHS-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine (CID 62621060) is 2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine is NC1(Cc2ccsc2)CCCCC1c1ccccc1.
What is the InChIKey of 2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is QOQLLLGPDNGQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c18-17(12-14-9-11-19-13-14)10-5-4-8-16(17)15-6-2-1-3-7-15/h1-3,6-7,9,11,13,16H,4-5,8,10,12,18H2.
What are the key properties of 2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine?
2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 271.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 62621060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).