1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine

C19H31N — CID 107179603

IUPAC1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)C1CCCCC1(C)C
InChIInChI=1S/C19H31N/c1-5-20-18(14-16-10-8-9-15(2)13-16)17-11-6-7-12-19(17,3)4/h8-10,13,17-18,20H,5-7,11-12,14H2,1-4H3
InChIKeyYTXAXFVRMNMAQG-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.73
Rot. Bonds5

About 1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine

1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine (PubChem CID 107179603) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine
PubChem CID107179603
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)C1CCCCC1(C)C
InChIInChI=1S/C19H31N/c1-5-20-18(14-16-10-8-9-15(2)13-16)17-11-6-7-12-19(17,3)4/h8-10,13,17-18,20H,5-7,11-12,14H2,1-4H3
InChIKeyYTXAXFVRMNMAQG-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine
CID 107188459
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107191654
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188128
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107187957
[2-(3-chlorophenyl)-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107193281
N-ethyl-1-(4-ethylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 64776051
1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 107189434
N-ethyl-1-(3-ethylcyclopentyl)-2-(3-methylphenyl)ethanamine
CID 65409853
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107179470
[1-(2,2-dimethylcyclopropyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 107005554
N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 107179519
N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 107179564

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine (CID 107179603) is 1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine is CCNC(Cc1cccc(C)c1)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The InChIKey is YTXAXFVRMNMAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-20-18(14-16-10-8-9-15(2)13-16)17-11-6-7-12-19(17,3)4/h8-10,13,17-18,20H,5-7,11-12,14H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 107179603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).