1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine

C16H25NO2 — CID 116714296

IUPAC1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(OC)cc1C)C1(OC)CCC1
InChIInChI=1S/C16H25NO2/c1-11-10-14(18-4)12(2)9-13(11)15(17-3)16(19-5)7-6-8-16/h9-10,15,17H,6-8H2,1-5H3
InChIKeyCGKPHMKPSVQELR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.14
Rot. Bonds5

About 1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine

1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 116714296) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
PubChem CID116714296
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(OC)cc1C)C1(OC)CCC1
InChIInChI=1S/C16H25NO2/c1-11-10-14(18-4)12(2)9-13(11)15(17-3)16(19-5)7-6-8-16/h9-10,15,17H,6-8H2,1-5H3
InChIKeyCGKPHMKPSVQELR-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycycloheptyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116770175
1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116764773
1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762928
[(4-methoxy-2,5-dimethylphenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253560
(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116761694
(4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 116767593
1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766426
N-[(4-methoxy-2,5-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105179032
1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961202
[(1-methoxycyclopentyl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105268692
1-(5-chloro-2-methoxyphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766450
1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909230

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine (CID 116714296) is 1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)c(OC)cc1C)C1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is CGKPHMKPSVQELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-10-14(18-4)12(2)9-13(11)15(17-3)16(19-5)7-6-8-16/h9-10,15,17H,6-8H2,1-5H3.
What are the key properties of 1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine?
1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116714296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).