1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine

C14H22N2O — CID 116958827

IUPAC1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)C1(CN)CCC1
InChIInChI=1S/C14H22N2O/c1-16-13(14(10-15)7-4-8-14)11-5-3-6-12(9-11)17-2/h3,5-6,9,13,16H,4,7-8,10,15H2,1-2H3
InChIKeyJXHIVOZTIQBHRU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.08
Rot. Bonds5

About 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine

1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine (PubChem CID 116958827) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine
PubChem CID116958827
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)C1(CN)CCC1
InChIInChI=1S/C14H22N2O/c1-16-13(14(10-15)7-4-8-14)11-5-3-6-12(9-11)17-2/h3,5-6,9,13,16H,4,7-8,10,15H2,1-2H3
InChIKeyJXHIVOZTIQBHRU-UHFFFAOYSA-N
XLogP2.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine
CID 116912535
1-(1-methoxycyclohexyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116762916
1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116765647
1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine
CID 123817997
1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105051822
[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105278241
1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116950034
N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
CID 116770319
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
[1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol
CID 79123408
1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105022410

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine (CID 116958827) is 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine is CNC(c1cccc(OC)c1)C1(CN)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is JXHIVOZTIQBHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-13(14(10-15)7-4-8-14)11-5-3-6-12(9-11)17-2/h3,5-6,9,13,16H,4,7-8,10,15H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 116958827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).