3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline

C19H23NO — CID 43672274

IUPAC3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline
SMILESCOCc1cccc(NC2CC(c3cccc(C)c3)C2)c1
InChIInChI=1S/C19H23NO/c1-14-5-3-7-16(9-14)17-11-19(12-17)20-18-8-4-6-15(10-18)13-21-2/h3-10,17,19-20H,11-13H2,1-2H3
InChIKeyKAYNOIUXTSCBAM-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.50
Rot. Bonds5

About 3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline

3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline (PubChem CID 43672274) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline
PubChem CID43672274
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline
SMILESCOCc1cccc(NC2CC(c3cccc(C)c3)C2)c1
InChIInChI=1S/C19H23NO/c1-14-5-3-7-16(9-14)17-11-19(12-17)20-18-8-4-6-15(10-18)13-21-2/h3-10,17,19-20H,11-13H2,1-2H3
InChIKeyKAYNOIUXTSCBAM-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethyl)-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43672267
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
CID 104870383
4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43633563
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633887
3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633885
[3-[(3-phenylcyclobutyl)amino]phenyl]methanol
CID 43715189
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530006
2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43634988
N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530348
N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530609

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline?
The IUPAC name of 3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline (CID 43672274) is 3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline?
The canonical SMILES for 3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline is COCc1cccc(NC2CC(c3cccc(C)c3)C2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline?
The InChIKey is KAYNOIUXTSCBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-5-3-7-16(9-14)17-11-19(12-17)20-18-8-4-6-15(10-18)13-21-2/h3-10,17,19-20H,11-13H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline?
3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline has a molecular weight of 281.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43672274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).