1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine

C15H24N2O — CID 116912535

IUPAC1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1cccc(C(N(C)C)C2(CN)CCC2)c1
InChIInChI=1S/C15H24N2O/c1-17(2)14(15(11-16)8-5-9-15)12-6-4-7-13(10-12)18-3/h4,6-7,10,14H,5,8-9,11,16H2,1-3H3
InChIKeyORACQELJXVWDKT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.43
Rot. Bonds5

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

1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine (PubChem CID 116912535) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine
PubChem CID116912535
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1cccc(C(N(C)C)C2(CN)CCC2)c1
InChIInChI=1S/C15H24N2O/c1-17(2)14(15(11-16)8-5-9-15)12-6-4-7-13(10-12)18-3/h4,6-7,10,14H,5,8-9,11,16H2,1-3H3
InChIKeyORACQELJXVWDKT-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116958827
1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 116912259
1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 116912489
[1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912694
[1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol
CID 79123408
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline
CID 106661172
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 65458499
1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
CID 103903248
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine (CID 116912535) is 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine is COc1cccc(C(N(C)C)C2(CN)CCC2)c1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine?
The InChIKey is ORACQELJXVWDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(2)14(15(11-16)8-5-9-15)12-6-4-7-13(10-12)18-3/h4,6-7,10,14H,5,8-9,11,16H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine?
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 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,N-dimethylmethanamine is sourced from PubChem (CID 116912535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).