1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

C19H25NS — CID 43484975

IUPAC1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C2CCCCC2)cc1)c1sccc1C
InChIInChI=1S/C19H25NS/c1-14-12-13-21-19(14)18(20-2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-13,15,18,20H,3-7H2,1-2H3
InChIKeyJRCBUHCNPJGARI-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.41
Rot. Bonds4

About 1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 43484975) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
PubChem CID43484975
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C2CCCCC2)cc1)c1sccc1C
InChIInChI=1S/C19H25NS/c1-14-12-13-21-19(14)18(20-2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-13,15,18,20H,3-7H2,1-2H3
InChIKeyJRCBUHCNPJGARI-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484390
N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 55006914
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 43485510
N-methyl-1-(4-methylsulfonylphenyl)-1-(3-methylthiophen-2-yl)methanamine
CID 55007057
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 79980474
1-(4-cyclobutylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105044965
[(4-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 105338117
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 43484996

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (CID 43484975) is 1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is CNC(c1ccc(C2CCCCC2)cc1)c1sccc1C.
What is the InChIKey of 1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is JRCBUHCNPJGARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-14-12-13-21-19(14)18(20-2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-13,15,18,20H,3-7H2,1-2H3.
What are the key properties of 1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 299.48 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 43484975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).