1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine

C16H25NO — CID 81028262

IUPAC1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
SMILESCCOc1ccccc1C1CCCCC1CNC
InChIInChI=1S/C16H25NO/c1-3-18-16-11-7-6-10-15(16)14-9-5-4-8-13(14)12-17-2/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3
InChIKeyZGBYSANKQBBCQN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.58
Rot. Bonds5

About 1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine

1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine (PubChem CID 81028262) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
PubChem CID81028262
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
SMILESCCOc1ccccc1C1CCCCC1CNC
InChIInChI=1S/C16H25NO/c1-3-18-16-11-7-6-10-15(16)14-9-5-4-8-13(14)12-17-2/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3
InChIKeyZGBYSANKQBBCQN-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81027950
1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028647
1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81027217
2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074
1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 82811219
1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine
CID 81033471
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
(2R)-2-(2-ethoxyphenyl)azetidine
CID 131015812
2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81033640
(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 171194884

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine (CID 81028262) is 1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine is CCOc1ccccc1C1CCCCC1CNC.
What is the InChIKey of 1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is ZGBYSANKQBBCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-18-16-11-7-6-10-15(16)14-9-5-4-8-13(14)12-17-2/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine?
1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81028262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).