1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine

C10H14F2N2 — CID 116948387

IUPAC1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN)c1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N2/c1-14-10(4-5-13)7-2-3-8(11)9(12)6-7/h2-3,6,10,14H,4-5,13H2,1H3
InChIKeyGQRKHTFPPNZOQC-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.57
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine

1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine (PubChem CID 116948387) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine
PubChem CID116948387
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN)c1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N2/c1-14-10(4-5-13)7-2-3-8(11)9(12)6-7/h2-3,6,10,14H,4-5,13H2,1H3
InChIKeyGQRKHTFPPNZOQC-UHFFFAOYSA-N
XLogP1.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949581
2-chloro-1-(3,4-difluorophenyl)-N-methylethanamine
CID 116952603
1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950316
3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236492
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846
1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105145538
1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine
CID 43484623
1-(3,4-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43484603
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009150
1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 60819926
1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
CID 62066014
[1-(3,4-difluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105197132

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine (CID 116948387) is 1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine is CNC(CCN)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine?
The InChIKey is GQRKHTFPPNZOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-14-10(4-5-13)7-2-3-8(11)9(12)6-7/h2-3,6,10,14H,4-5,13H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine?
1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine has a molecular weight of 200.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 116948387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).