1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine

C12H17NO — CID 117282705

IUPAC1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine
SMILESCOCc1cccc(C2(N)CCC2)c1
InChIInChI=1S/C12H17NO/c1-14-9-10-4-2-5-11(8-10)12(13)6-3-7-12/h2,4-5,8H,3,6-7,9,13H2,1H3
InChIKeyOIBSYFUTCTWYOJ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.17
Rot. Bonds3

About 1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine

1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine (PubChem CID 117282705) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine
PubChem CID117282705
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine
SMILESCOCc1cccc(C2(N)CCC2)c1
InChIInChI=1S/C12H17NO/c1-14-9-10-4-2-5-11(8-10)12(13)6-3-7-12/h2,4-5,8H,3,6-7,9,13H2,1H3
InChIKeyOIBSYFUTCTWYOJ-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117294034
1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117293808
1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine
CID 117386737
4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine
CID 116543030
1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113248763
1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine
CID 117396413
1-(3-methylphenyl)cyclopentan-1-amine
CID 43345653
1-(3-propan-2-ylphenyl)cyclobutan-1-amine
CID 82603155
3-(1-aminocyclobutyl)-N,N-dimethylaniline
CID 82603640
1-(3-ethoxyphenyl)cyclopentan-1-amine
CID 79420806
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 84793946

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine (CID 117282705) is 1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine is COCc1cccc(C2(N)CCC2)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine?
The InChIKey is OIBSYFUTCTWYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-14-9-10-4-2-5-11(8-10)12(13)6-3-7-12/h2,4-5,8H,3,6-7,9,13H2,1H3.
What are the key properties of 1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine?
1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117282705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).