N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine

C20H33N — CID 106827045

IUPACN-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(CC)ccc1CC)C1(C)CCCCC1
InChIInChI=1S/C20H33N/c1-5-16-11-12-17(6-2)18(15-16)19(21-7-3)20(4)13-9-8-10-14-20/h11-12,15,19,21H,5-10,13-14H2,1-4H3
InChIKeyMGVXJJIISLOLPI-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.43
Rot. Bonds6

About N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine

N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine (PubChem CID 106827045) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
PubChem CID106827045
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(CC)ccc1CC)C1(C)CCCCC1
InChIInChI=1S/C20H33N/c1-5-16-11-12-17(6-2)18(15-16)19(21-7-3)20(4)13-9-8-10-14-20/h11-12,15,19,21H,5-10,13-14H2,1-4H3
InChIKeyMGVXJJIISLOLPI-UHFFFAOYSA-N
XLogP5.43
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 ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 107476482
N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 115801708
N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106826887
N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine
CID 106656551
N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106878275
N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106827158
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 106826902
1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518885
N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830050
1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 65156203
N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine
CID 107961012

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine (CID 106827045) is N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine is CCNC(c1cc(CC)ccc1CC)C1(C)CCCCC1.
What is the InChIKey of N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The InChIKey is MGVXJJIISLOLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-16-11-12-17(6-2)18(15-16)19(21-7-3)20(4)13-9-8-10-14-20/h11-12,15,19,21H,5-10,13-14H2,1-4H3.
What are the key properties of N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106827045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).