1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine

C17H27NO — CID 116762893

IUPAC1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)C1(OC)CCCCC1
InChIInChI=1S/C17H27NO/c1-14-9-5-6-10-15(14)13-16(18-2)17(19-3)11-7-4-8-12-17/h5-6,9-10,16,18H,4,7-8,11-13H2,1-3H3
InChIKeyJIFIUUPYVLGQHK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.47
Rot. Bonds5

About 1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine

1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine (PubChem CID 116762893) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
PubChem CID116762893
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)C1(OC)CCCCC1
InChIInChI=1S/C17H27NO/c1-14-9-5-6-10-15(14)13-16(18-2)17(19-3)11-7-4-8-12-17/h5-6,9-10,16,18H,4,7-8,11-13H2,1-3H3
InChIKeyJIFIUUPYVLGQHK-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770210
2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610924
2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359
2-(2-fluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714161
N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116714965
2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 105374348
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762886
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762866
2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770042

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine (CID 116762893) is 1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine is CNC(Cc1ccccc1C)C1(OC)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine?
The InChIKey is JIFIUUPYVLGQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-9-5-6-10-15(14)13-16(18-2)17(19-3)11-7-4-8-12-17/h5-6,9-10,16,18H,4,7-8,11-13H2,1-3H3.
What are the key properties of 1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine?
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 116762893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).