1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine

C18H29NO — CID 107179500

IUPAC1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)C1CCCCC1(C)C
InChIInChI=1S/C18H29NO/c1-18(2)12-6-5-7-16(18)17(19-3)13-14-8-10-15(20-4)11-9-14/h8-11,16-17,19H,5-7,12-13H2,1-4H3
InChIKeyFGSOFCSHADTAKV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.04
Rot. Bonds5

About 1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine

1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 107179500) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine
PubChem CID107179500
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)C1CCCCC1(C)C
InChIInChI=1S/C18H29NO/c1-18(2)12-6-5-7-16(18)17(19-3)13-14-8-10-15(20-4)11-9-14/h8-11,16-17,19H,5-7,12-13H2,1-4H3
InChIKeyFGSOFCSHADTAKV-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107188347
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
2-(3-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107188023
2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107892144
N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177352
1-(2,2-dimethylcyclopentyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 107190809
N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 107179519
1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 79852591
[1-(2,2-dimethylcyclopentyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107193293
[2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]hydrazine
CID 107194005
N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177622

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine (CID 107179500) is 1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)cc1)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is FGSOFCSHADTAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2)12-6-5-7-16(18)17(19-3)13-14-8-10-15(20-4)11-9-14/h8-11,16-17,19H,5-7,12-13H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine?
1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 107179500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).