1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine

C17H28N2O — CID 62859874

IUPAC1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)c(CN(C)CC2CCC2)c1
InChIInChI=1S/C17H28N2O/c1-13(18-2)15-8-9-17(20-4)16(10-15)12-19(3)11-14-6-5-7-14/h8-10,13-14,18H,5-7,11-12H2,1-4H3
InChIKeyFAHJGYATAQAHJK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.21
Rot. Bonds7

About 1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine

1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine (PubChem CID 62859874) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine
PubChem CID62859874
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)c(CN(C)CC2CCC2)c1
InChIInChI=1S/C17H28N2O/c1-13(18-2)15-8-9-17(20-4)16(10-15)12-19(3)11-14-6-5-7-14/h8-10,13-14,18H,5-7,11-12H2,1-4H3
InChIKeyFAHJGYATAQAHJK-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974
N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82732739
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxybenzoic acid
CID 62861744
1-cyclopropyl-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylmethanamine
CID 62017230
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 62018368
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
3-[3-[[cyclopentylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 63631805
1-[4-methoxy-3-(oxan-4-ylsulfanylmethyl)phenyl]-N-methylethanamine
CID 64626374
1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one
CID 104680031
4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline
CID 63233491
2-[5-[1-(2-cyclobutylethylamino)ethyl]-2-methoxyphenyl]acetonitrile
CID 166200213

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine (CID 62859874) is 1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine is CNC(C)c1ccc(OC)c(CN(C)CC2CCC2)c1.
What is the InChIKey of 1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine?
The InChIKey is FAHJGYATAQAHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(18-2)15-8-9-17(20-4)16(10-15)12-19(3)11-14-6-5-7-14/h8-10,13-14,18H,5-7,11-12H2,1-4H3.
What are the key properties of 1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine?
1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 62859874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).