3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine

C18H23NS — CID 43224426

IUPAC3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NC(c2ccccc2)c2cccs2)C1
InChIInChI=1S/C18H23NS/c1-14-7-5-10-16(13-14)19-18(17-11-6-12-20-17)15-8-3-2-4-9-15/h2-4,6,8-9,11-12,14,16,18-19H,5,7,10,13H2,1H3
InChIKeyLGSLVZKJAGMNQV-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.01
Rot. Bonds4

About 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine

3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine (PubChem CID 43224426) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
PubChem CID43224426
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NC(c2ccccc2)c2cccs2)C1
InChIInChI=1S/C18H23NS/c1-14-7-5-10-16(13-14)19-18(17-11-6-12-20-17)15-8-3-2-4-9-15/h2-4,6,8-9,11-12,14,16,18-19H,5,7,10,13H2,1H3
InChIKeyLGSLVZKJAGMNQV-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine
CID 104859620
2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 64763028
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine
CID 43775441
N-[phenyl(thiophen-2-yl)methyl]thian-3-amine
CID 62873455
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
CID 43224396
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64733837
N-(dithiophen-2-ylmethyl)cyclopentanamine
CID 43756506
2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine
CID 79859844
1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine
CID 62981126
N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 43079693

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine (CID 43224426) is 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine is CC1CCCC(NC(c2ccccc2)c2cccs2)C1.
What is the InChIKey of 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is LGSLVZKJAGMNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-14-7-5-10-16(13-14)19-18(17-11-6-12-20-17)15-8-3-2-4-9-15/h2-4,6,8-9,11-12,14,16,18-19H,5,7,10,13H2,1H3.
What are the key properties of 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine?
3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43224426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).