N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine

C12H18F2N2 — CID 115197450

IUPACN'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)CCc1ccc(F)c(F)c1
InChIInChI=1S/C12H18F2N2/c1-16(7-2-6-15)8-5-10-3-4-11(13)12(14)9-10/h3-4,9H,2,5-8,15H2,1H3
InChIKeyKBNWWXKMSBXLBF-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.79
Rot. Bonds6

About N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine

N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine (PubChem CID 115197450) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
PubChem CID115197450
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC NameN'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)CCc1ccc(F)c(F)c1
InChIInChI=1S/C12H18F2N2/c1-16(7-2-6-15)8-5-10-3-4-11(13)12(14)9-10/h3-4,9H,2,5-8,15H2,1H3
InChIKeyKBNWWXKMSBXLBF-UHFFFAOYSA-N
XLogP1.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(4-fluorophenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 94259582
methyl 3-[2-(3,4-difluorophenyl)ethyl-methylamino]propanoate
CID 115232572
3-chloro-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylpropan-1-amine
CID 115215920
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115195519
N'-methyl-N'-[(2,4,5-trifluorophenyl)methyl]propane-1,3-diamine
CID 104869635
N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 15045276
N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide
CID 107206768
2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261315
N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 115190351
4-[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218770
2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244934

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine (CID 115197450) is N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine is CN(CCCN)CCc1ccc(F)c(F)c1.
What is the InChIKey of N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine?
The InChIKey is KBNWWXKMSBXLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-16(7-2-6-15)8-5-10-3-4-11(13)12(14)9-10/h3-4,9H,2,5-8,15H2,1H3.
What are the key properties of N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine?
N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine has a molecular weight of 228.29 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115197450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).