(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine

C13H18FNO — CID 107129160

IUPAC(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
SMILESCOC1(C(N)c2ccc(C)c(F)c2)CCC1
InChIInChI=1S/C13H18FNO/c1-9-4-5-10(8-11(9)14)12(15)13(16-2)6-3-7-13/h4-5,8,12H,3,6-7,15H2,1-2H3
InChIKeyLKYAATDLSYLBHV-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.70
Rot. Bonds3

About (3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine

(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine (PubChem CID 107129160) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
PubChem CID107129160
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
SMILESCOC1(C(N)c2ccc(C)c(F)c2)CCC1
InChIInChI=1S/C13H18FNO/c1-9-4-5-10(8-11(9)14)12(15)13(16-2)6-3-7-13/h4-5,8,12H,3,6-7,15H2,1-2H3
InChIKeyLKYAATDLSYLBHV-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

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713947
(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol
CID 107128604
(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713879
(3-fluoro-5-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116714117
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
CID 107128712
(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
CID 116769914
(1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 116714051
(4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 114519781
[(1-ethoxycyclohexyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130905
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
CID 104610743
(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
CID 116769915
(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128630

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine?
The IUPAC name of (3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine (CID 107129160) is (3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine is COC1(C(N)c2ccc(C)c(F)c2)CCC1.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine?
The InChIKey is LKYAATDLSYLBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-4-5-10(8-11(9)14)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 (3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine?
(3-fluoro-4-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 (3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine is sourced from PubChem (CID 107129160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).