1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine

C17H27NO2 — CID 116766322

IUPAC1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)C2(OC)CCC(C)CC2)c1
InChIInChI=1S/C17H27NO2/c1-13-7-9-17(20-3,10-8-13)16(18)12-14-5-4-6-15(11-14)19-2/h4-6,11,13,16H,7-10,12,18H2,1-3H3
InChIKeyAUNCVQVIXMSHFW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.16
Rot. Bonds5

About 1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine

1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 116766322) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
PubChem CID116766322
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)C2(OC)CCC(C)CC2)c1
InChIInChI=1S/C17H27NO2/c1-13-7-9-17(20-3,10-8-13)16(18)12-14-5-4-6-15(11-14)19-2/h4-6,11,13,16H,7-10,12,18H2,1-3H3
InChIKeyAUNCVQVIXMSHFW-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-methoxy-3-methylcyclohexyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105277612
1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 65391804
2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 107309128
1-[1-amino-2-(3-methoxyphenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066060
2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754566
2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80685196
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
2-(3-methoxyphenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115840738
(1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine
CID 116766270
N-[1-(1-methoxycyclobutyl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 116714829
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine (CID 116766322) is 1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine is COc1cccc(CC(N)C2(OC)CCC(C)CC2)c1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is AUNCVQVIXMSHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-7-9-17(20-3,10-8-13)16(18)12-14-5-4-6-15(11-14)19-2/h4-6,11,13,16H,7-10,12,18H2,1-3H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine?
1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 116766322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).