(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine

C13H18FNO — CID 116713879

IUPAC(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine
SMILESCOC1(C(N)c2cc(F)ccc2C)CCC1
InChIInChI=1S/C13H18FNO/c1-9-4-5-10(14)8-11(9)12(15)13(16-2)6-3-7-13/h4-5,8,12H,3,6-7,15H2,1-2H3
InChIKeyIELQAZXEWBTEMA-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.70
Rot. Bonds3

About (5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine

(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine (PubChem CID 116713879) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine
PubChem CID116713879
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine
SMILESCOC1(C(N)c2cc(F)ccc2C)CCC1
InChIInChI=1S/C13H18FNO/c1-9-4-5-10(14)8-11(9)12(15)13(16-2)6-3-7-13/h4-5,8,12H,3,6-7,15H2,1-2H3
InChIKeyIELQAZXEWBTEMA-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928
(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine
CID 116768560
[(5-fluoro-2-methylphenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105275942
(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 107129160
(3-fluoro-5-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116714117
(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755728
[(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277963
(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine
CID 106646099
(2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 116769039
2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 105374348
(2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 107513888
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine?
The IUPAC name of (5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine (CID 116713879) is (5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine is COC1(C(N)c2cc(F)ccc2C)CCC1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine?
The InChIKey is IELQAZXEWBTEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-4-5-10(14)8-11(9)12(15)13(16-2)6-3-7-13/h4-5,8,12H,3,6-7,15H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine?
(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine has a molecular weight of 223.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine is sourced from PubChem (CID 116713879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).