N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine

C13H17F2N — CID 65419554

IUPACN-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1c(F)cccc1F)C1CC1C
InChIInChI=1S/C13H17F2N/c1-3-16-13(9-7-8(9)2)12-10(14)5-4-6-11(12)15/h4-6,8-9,13,16H,3,7H2,1-2H3
InChIKeyPCXWPNMALYVIMY-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.27
Rot. Bonds4

About N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine

N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 65419554) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
PubChem CID65419554
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC NameN-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1c(F)cccc1F)C1CC1C
InChIInChI=1S/C13H17F2N/c1-3-16-13(9-7-8(9)2)12-10(14)5-4-6-11(12)15/h4-6,8-9,13,16H,3,7H2,1-2H3
InChIKeyPCXWPNMALYVIMY-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421935
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 106942650
[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]hydrazine
CID 105234813
N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 54880573
N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052491
N-[(2-fluoro-5-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421716
N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43561496
N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 105395094
N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419979
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191861
N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine
CID 114887135
N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 65419758

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine (CID 65419554) is N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine is CCNC(c1c(F)cccc1F)C1CC1C.
What is the InChIKey of N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is PCXWPNMALYVIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-3-16-13(9-7-8(9)2)12-10(14)5-4-6-11(12)15/h4-6,8-9,13,16H,3,7H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine?
N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 225.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 65419554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).