1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine

C14H19F2NO — CID 107515843

IUPAC1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)c2ccc(C)c(F)c2F)CCC1
InChIInChI=1S/C14H19F2NO/c1-9-4-5-10(13(16)12(9)15)11(17)8-14(18-2)6-3-7-14/h4-5,11H,3,6-8,17H2,1-2H3
InChIKeyIMCRJDMKXPLYGD-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.23
Rot. Bonds4

About 1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine

1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 107515843) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine
PubChem CID107515843
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)c2ccc(C)c(F)c2F)CCC1
InChIInChI=1S/C14H19F2NO/c1-9-4-5-10(13(16)12(9)15)11(17)8-14(18-2)6-3-7-14/h4-5,11H,3,6-8,17H2,1-2H3
InChIKeyIMCRJDMKXPLYGD-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine with MolForge

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Related Compounds

1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556115
1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556435
(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine
CID 131057437
methyl (3R)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171249752
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171243019
(1S)-1-(2,3-difluoro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131304116
6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 103556144
(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 131568971
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate;hydrochloride
CID 171243020
2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515963
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556131
1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556111

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine (CID 107515843) is 1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine is COC1(CC(N)c2ccc(C)c(F)c2F)CCC1.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is IMCRJDMKXPLYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9-4-5-10(13(16)12(9)15)11(17)8-14(18-2)6-3-7-14/h4-5,11H,3,6-8,17H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine?
1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 107515843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).