3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine

C13H19NO — CID 104587932

IUPAC3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
SMILESCOC1CC(NCc2cccc(C)c2)C1
InChIInChI=1S/C13H19NO/c1-10-4-3-5-11(6-10)9-14-12-7-13(8-12)15-2/h3-6,12-14H,7-9H2,1-2H3
InChIKeyZEFQLVFOSDIAEZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.26
Rot. Bonds4

About 3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine

3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine (PubChem CID 104587932) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
PubChem CID104587932
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
SMILESCOC1CC(NCc2cccc(C)c2)C1
InChIInChI=1S/C13H19NO/c1-10-4-3-5-11(6-10)9-14-12-7-13(8-12)15-2/h3-6,12-14H,7-9H2,1-2H3
InChIKeyZEFQLVFOSDIAEZ-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560905
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
CID 43632228
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 104871414
3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634406
N-[(3-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435217

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine (CID 104587932) is 3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine is COC1CC(NCc2cccc(C)c2)C1.
What is the InChIKey of 3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is ZEFQLVFOSDIAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-4-3-5-11(6-10)9-14-12-7-13(8-12)15-2/h3-6,12-14H,7-9H2,1-2H3.
What are the key properties of 3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine?
3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 104587932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).