2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine

C19H31N — CID 65303462

IUPAC2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine
SMILESCNCCC1(CCc2ccc(C)c(C)c2)CCCCC1
InChIInChI=1S/C19H31N/c1-16-7-8-18(15-17(16)2)9-12-19(13-14-20-3)10-5-4-6-11-19/h7-8,15,20H,4-6,9-14H2,1-3H3
InChIKeyCZXQICPABKOSGR-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.80
Rot. Bonds6

About 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine

2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine (PubChem CID 65303462) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine
PubChem CID65303462
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine
SMILESCNCCC1(CCc2ccc(C)c(C)c2)CCCCC1
InChIInChI=1S/C19H31N/c1-16-7-8-18(15-17(16)2)9-12-19(13-14-20-3)10-5-4-6-11-19/h7-8,15,20H,4-6,9-14H2,1-3H3
InChIKeyCZXQICPABKOSGR-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
CID 65303868
N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine
CID 65303003
2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304957
2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65303673
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304047
2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303461
2-methyl-4-[2-(1-nonylcyclohexyl)ethyl]-1-pentylbenzene
CID 57180466
2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303142
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,2-dimethylbenzene
CID 66048678
2-[2-(3,4-dimethylphenyl)ethyl]-N-methylthiiran-2-amine
CID 134172754
1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 83684647
2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304755

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine?
The IUPAC name of 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine (CID 65303462) is 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine?
The canonical SMILES for 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine is CNCCC1(CCc2ccc(C)c(C)c2)CCCCC1.
What is the InChIKey of 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine?
The InChIKey is CZXQICPABKOSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-16-7-8-18(15-17(16)2)9-12-19(13-14-20-3)10-5-4-6-11-19/h7-8,15,20H,4-6,9-14H2,1-3H3.
What are the key properties of 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine?
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine is sourced from PubChem (CID 65303462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).