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

C13H19NO2 — CID 104587979

IUPAC3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1cccc(CNC2CC(OC)C2)c1
InChIInChI=1S/C13H19NO2/c1-15-12-5-3-4-10(6-12)9-14-11-7-13(8-11)16-2/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyGMHNDLZTLTZFKA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds5

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

3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine (PubChem CID 104587979) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
PubChem CID104587979
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1cccc(CNC2CC(OC)C2)c1
InChIInChI=1S/C13H19NO2/c1-15-12-5-3-4-10(6-12)9-14-11-7-13(8-11)16-2/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyGMHNDLZTLTZFKA-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 104587932
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859
3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64623988
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 103081758
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 104871414
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]benzoic acid
CID 122035121

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine (CID 104587979) is 3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine is COc1cccc(CNC2CC(OC)C2)c1.
What is the InChIKey of 3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine?
The InChIKey is GMHNDLZTLTZFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-12-5-3-4-10(6-12)9-14-11-7-13(8-11)16-2/h3-6,11,13-14H,7-9H2,1-2H3.
What are the key properties of 3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine?
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 104587979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).