1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine

C15H23NO — CID 113362738

IUPAC1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
SMILESCOC1(CNCc2cc(C)ccc2C)CCC1
InChIInChI=1S/C15H23NO/c1-12-5-6-13(2)14(9-12)10-16-11-15(17-3)7-4-8-15/h5-6,9,16H,4,7-8,10-11H2,1-3H3
InChIKeyKNCNHRMEBUSCAI-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.96
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine

1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine (PubChem CID 113362738) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
PubChem CID113362738
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
SMILESCOC1(CNCc2cc(C)ccc2C)CCC1
InChIInChI=1S/C15H23NO/c1-12-5-6-13(2)14(9-12)10-16-11-15(17-3)7-4-8-15/h5-6,9,16H,4,7-8,10-11H2,1-3H3
InChIKeyKNCNHRMEBUSCAI-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094777
1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246164
1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991560
1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242888
1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine
CID 103556957
N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765888
3-(aminomethyl)-N-[(1-methoxycyclobutyl)methyl]-4-methylbenzenesulfonamide
CID 106091014
methyl 2-[(2,5-dimethylphenyl)methylamino]acetate
CID 60687577
4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 102809731
N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine
CID 103991879
N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 103991718
3-bromo-4-[[(1-methoxycyclobutyl)methylamino]methyl]benzoic acid
CID 114120011

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine (CID 113362738) is 1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine is COC1(CNCc2cc(C)ccc2C)CCC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
The InChIKey is KNCNHRMEBUSCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-5-6-13(2)14(9-12)10-16-11-15(17-3)7-4-8-15/h5-6,9,16H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine has a molecular weight of 233.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine is sourced from PubChem (CID 113362738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).