2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine

C13H17ClFNO — CID 107885160

IUPAC2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(C(N)Cc2ccc(Cl)c(F)c2)CCC1
InChIInChI=1S/C13H17ClFNO/c1-17-13(5-2-6-13)12(16)8-9-3-4-10(14)11(15)7-9/h3-4,7,12H,2,5-6,8,16H2,1H3
InChIKeyIMSFWPNIFGHDMR-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.92
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine

2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine (PubChem CID 107885160) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
PubChem CID107885160
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(C(N)Cc2ccc(Cl)c(F)c2)CCC1
InChIInChI=1S/C13H17ClFNO/c1-17-13(5-2-6-13)12(16)8-9-3-4-10(14)11(15)7-9/h3-4,7,12H,2,5-6,8,16H2,1H3
InChIKeyIMSFWPNIFGHDMR-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 107891592
2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
CID 107885231
2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764414
2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 103040524
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
[2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
CID 103044091
1-(1-methoxycyclopentyl)-2-(4-methylphenyl)ethanamine
CID 104610637
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
1-(4-chloro-3-fluorophenyl)-3-methoxybutan-2-amine
CID 107884948
2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 107884841
methyl (2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 67966222
1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
CID 115347398

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine (CID 107885160) is 2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine is COC1(C(N)Cc2ccc(Cl)c(F)c2)CCC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine?
The InChIKey is IMSFWPNIFGHDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-17-13(5-2-6-13)12(16)8-9-3-4-10(14)11(15)7-9/h3-4,7,12H,2,5-6,8,16H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine?
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine has a molecular weight of 257.74 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 107885160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).