1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

C17H27N — CID 63414820

IUPAC1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCCc1ccc(C(NC)C2CCCC(C)C2)cc1
InChIInChI=1S/C17H27N/c1-4-14-8-10-15(11-9-14)17(18-3)16-7-5-6-13(2)12-16/h8-11,13,16-18H,4-7,12H2,1-3H3
InChIKeyGMGHFSQHFMSYSG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.34
Rot. Bonds4

About 1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (PubChem CID 63414820) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
PubChem CID63414820
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCCc1ccc(C(NC)C2CCCC(C)C2)cc1
InChIInChI=1S/C17H27N/c1-4-14-8-10-15(11-9-14)17(18-3)16-7-5-6-13(2)12-16/h8-11,13,16-18H,4-7,12H2,1-3H3
InChIKeyGMGHFSQHFMSYSG-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 106848828
[(3-methylcyclohexyl)-(4-propylphenyl)methyl]hydrazine
CID 105210218
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine
CID 55188328
1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 64632423
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045
[(3,5-dimethylcyclohexyl)-(4-ethylphenyl)methyl]hydrazine
CID 105197458
N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114519344
[(3-methylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105194279
(4-ethylphenyl)-(3-methylcyclopentyl)methanol
CID 65401353
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (CID 63414820) is 1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is CCc1ccc(C(NC)C2CCCC(C)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The InChIKey is GMGHFSQHFMSYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-14-8-10-15(11-9-14)17(18-3)16-7-5-6-13(2)12-16/h8-11,13,16-18H,4-7,12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 63414820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).