4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine

C18H23NS — CID 43081859

IUPAC4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
SMILESCC(NC1CCC(c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C18H23NS/c1-14(18-8-5-13-20-18)19-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-8,13-14,16-17,19H,9-12H2,1H3
InChIKeyIYPFZNCDJKYCCI-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.13
Rot. Bonds4

About 4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine

4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine (PubChem CID 43081859) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
PubChem CID43081859
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
SMILESCC(NC1CCC(c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C18H23NS/c1-14(18-8-5-13-20-18)19-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-8,13-14,16-17,19H,9-12H2,1H3
InChIKeyIYPFZNCDJKYCCI-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 28544170
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398469
N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine
CID 43779146
N-[(1S)-1-thiophen-2-ylethyl]oxepan-4-amine
CID 81398399
N-[(1R)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398410
8-methyl-N-[(1R)-1-thiophen-2-ylethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81398172
3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107447910
N-(1-methylsulfanylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115721718
N-[(1S)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398144

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine?
The IUPAC name of 4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine (CID 43081859) is 4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine is CC(NC1CCC(c2ccccc2)CC1)c1cccs1.
What is the InChIKey of 4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine?
The InChIKey is IYPFZNCDJKYCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-14(18-8-5-13-20-18)19-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-8,13-14,16-17,19H,9-12H2,1H3.
What are the key properties of 4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine?
4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 43081859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).