3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine

C13H20N2O — CID 115214033

IUPAC3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
SMILESCOc1ccc(CNCC2CC(N)C2)cc1
InChIInChI=1S/C13H20N2O/c1-16-13-4-2-10(3-5-13)8-15-9-11-6-12(14)7-11/h2-5,11-12,15H,6-9,14H2,1H3
InChIKeyNCRHVAICXUQSCW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.52
Rot. Bonds5

About 3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine

3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine (PubChem CID 115214033) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
PubChem CID115214033
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
SMILESCOc1ccc(CNCC2CC(N)C2)cc1
InChIInChI=1S/C13H20N2O/c1-16-13-4-2-10(3-5-13)8-15-9-11-6-12(14)7-11/h2-5,11-12,15H,6-9,14H2,1H3
InChIKeyNCRHVAICXUQSCW-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213420
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150
3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 115161488
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide
CID 66006456
2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927668
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
CID 66005906
3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270839
N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride
CID 18784188
N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 66006279
N-(hydrazinylmethyl)-1-(4-methoxyphenyl)methanamine
CID 115260736

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine (CID 115214033) is 3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine is COc1ccc(CNCC2CC(N)C2)cc1.
What is the InChIKey of 3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine?
The InChIKey is NCRHVAICXUQSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-13-4-2-10(3-5-13)8-15-9-11-6-12(14)7-11/h2-5,11-12,15H,6-9,14H2,1H3.
What are the key properties of 3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine?
3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).