2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine

C15H22F2N2 — CID 115244934

IUPAC2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
SMILESCNCC1(CN(C)CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H22F2N2/c1-18-10-15(6-7-15)11-19(2)8-5-12-3-4-13(16)14(17)9-12/h3-4,9,18H,5-8,10-11H2,1-2H3
InChIKeyFPNRRTXPAQFZTB-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.44
Rot. Bonds7

About 2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine

2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine (PubChem CID 115244934) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
PubChem CID115244934
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
SMILESCNCC1(CN(C)CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H22F2N2/c1-18-10-15(6-7-15)11-19(2)8-5-12-3-4-13(16)14(17)9-12/h3-4,9,18H,5-8,10-11H2,1-2H3
InChIKeyFPNRRTXPAQFZTB-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244944
2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine
CID 115246309
1-(4-chlorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244797
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine
CID 62257036
N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197450
methyl 3-[2-(3,4-difluorophenyl)ethyl-methylamino]propanoate
CID 115232572
N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine
CID 115226993
N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146092
2-fluoro-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244661
1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine
CID 116874854
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 115245973
2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246121

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine (CID 115244934) is 2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine is CNCC1(CN(C)CCc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine?
The InChIKey is FPNRRTXPAQFZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-18-10-15(6-7-15)11-19(2)8-5-12-3-4-13(16)14(17)9-12/h3-4,9,18H,5-8,10-11H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine?
2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine has a molecular weight of 268.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 115244934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).