N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine

C20H33N — CID 116544173

IUPACN-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(CC(C)C)c1)C1CCCC(C)C1
InChIInChI=1S/C20H33N/c1-5-21-20(18-10-6-8-16(4)13-18)19-11-7-9-17(14-19)12-15(2)3/h7,9,11,14-16,18,20-21H,5-6,8,10,12-13H2,1-4H3
InChIKeyLAVRXOFZQXVHSX-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.36
Rot. Bonds6

About N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine

N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine (PubChem CID 116544173) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
PubChem CID116544173
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(CC(C)C)c1)C1CCCC(C)C1
InChIInChI=1S/C20H33N/c1-5-21-20(18-10-6-8-16(4)13-18)19-11-7-9-17(14-19)12-15(2)3/h7,9,11,14-16,18,20-21H,5-6,8,10,12-13H2,1-4H3
InChIKeyLAVRXOFZQXVHSX-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
CID 116544556
N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544174
[(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105233003
N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050748
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415595
N-[(3-iodophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991968
N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045
N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114519344
2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722482

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine (CID 116544173) is N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine is CCNC(c1cccc(CC(C)C)c1)C1CCCC(C)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The InChIKey is LAVRXOFZQXVHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-21-20(18-10-6-8-16(4)13-18)19-11-7-9-17(14-19)12-15(2)3/h7,9,11,14-16,18,20-21H,5-6,8,10,12-13H2,1-4H3.
What are the key properties of N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 116544173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).