[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine

C13H19NO — CID 81011141

IUPAC[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
SMILESCOc1cccc(CC2CCC2CN)c1
InChIInChI=1S/C13H19NO/c1-15-13-4-2-3-10(8-13)7-11-5-6-12(11)9-14/h2-4,8,11-12H,5-7,9,14H2,1H3
InChIKeyAQFJIYYLRJGXLO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.22
Rot. Bonds4

About [2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine

[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine (PubChem CID 81011141) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
PubChem CID81011141
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
SMILESCOc1cccc(CC2CCC2CN)c1
InChIInChI=1S/C13H19NO/c1-15-13-4-2-3-10(8-13)7-11-5-6-12(11)9-14/h2-4,8,11-12H,5-7,9,14H2,1H3
InChIKeyAQFJIYYLRJGXLO-UHFFFAOYSA-N
XLogP2.22
TPSA35.25 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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
3-[(3-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 64909880
3-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 84787596
[2-[(3-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 43329442
[2-[(3-methoxyphenyl)methoxy]cyclopentyl]methanamine
CID 43428902
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81034374
1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
CID 116584559
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152
(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
CID 11580724
[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293897

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine?
The IUPAC name of [2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine (CID 81011141) is [2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine is COc1cccc(CC2CCC2CN)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine?
The InChIKey is AQFJIYYLRJGXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-13-4-2-3-10(8-13)7-11-5-6-12(11)9-14/h2-4,8,11-12H,5-7,9,14H2,1H3.
What are the key properties of [2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine?
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81011141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).