1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine

C16H25NO2 — CID 43278132

IUPAC1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cc(CNC)ccc1OC1CCCCC1
InChIInChI=1S/C16H25NO2/c1-3-18-16-11-13(12-17-2)9-10-15(16)19-14-7-5-4-6-8-14/h9-11,14,17H,3-8,12H2,1-2H3
InChIKeyVAPVKPWCPOQABR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.52
Rot. Bonds6

About 1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine

1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine (PubChem CID 43278132) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
PubChem CID43278132
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cc(CNC)ccc1OC1CCCCC1
InChIInChI=1S/C16H25NO2/c1-3-18-16-11-13(12-17-2)9-10-15(16)19-14-7-5-4-6-8-14/h9-11,14,17H,3-8,12H2,1-2H3
InChIKeyVAPVKPWCPOQABR-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
CID 43278205
1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
CID 63559336
1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82925757
1-(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)-N-methylmethanamine
CID 43626927
1-(3-cyclohexyloxy-4-nitrophenyl)-N-methylmethanamine
CID 62115686
2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
CID 170879775
1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208536
N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine
CID 83231491
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]cyclopentan-1-ol
CID 60882214
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene
CID 64747736

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine (CID 43278132) is 1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine is CCOc1cc(CNC)ccc1OC1CCCCC1.
What is the InChIKey of 1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is VAPVKPWCPOQABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-18-16-11-13(12-17-2)9-10-15(16)19-14-7-5-4-6-8-14/h9-11,14,17H,3-8,12H2,1-2H3.
What are the key properties of 1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine?
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43278132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).