N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine

C17H27NO2 — CID 106680926

IUPACN-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(C)cc1OC)C1(OC)CCC1
InChIInChI=1S/C17H27NO2/c1-6-18-16(17(20-5)8-7-9-17)15-13(3)10-12(2)11-14(15)19-4/h10-11,16,18H,6-9H2,1-5H3
InChIKeyAXCCDLRWMUEPAI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.53
Rot. Bonds6

About N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine

N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine (PubChem CID 106680926) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
PubChem CID106680926
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(C)cc1OC)C1(OC)CCC1
InChIInChI=1S/C17H27NO2/c1-6-18-16(17(20-5)8-7-9-17)15-13(3)10-12(2)11-14(15)19-4/h10-11,16,18H,6-9H2,1-5H3
InChIKeyAXCCDLRWMUEPAI-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 106680802
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830788
N-ethyl-2-(1-methoxycyclobutyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682517
(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680299
1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 106680980
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106682086
N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714651
[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959056
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611176

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine (CID 106680926) is N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine is CCNC(c1c(C)cc(C)cc1OC)C1(OC)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine?
The InChIKey is AXCCDLRWMUEPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-18-16(17(20-5)8-7-9-17)15-13(3)10-12(2)11-14(15)19-4/h10-11,16,18H,6-9H2,1-5H3.
What are the key properties of N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine?
N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106680926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).