1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine

C11H17FN2 — CID 116932886

IUPAC1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine
SMILESCNCCC(N)c1ccc(F)c(C)c1
InChIInChI=1S/C11H17FN2/c1-8-7-9(3-4-10(8)12)11(13)5-6-14-2/h3-4,7,11,14H,5-6,13H2,1-2H3
InChIKeyKFFRULUFPKBEJD-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.74
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine

1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 116932886) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine
PubChem CID116932886
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine
SMILESCNCCC(N)c1ccc(F)c(C)c1
InChIInChI=1S/C11H17FN2/c1-8-7-9(3-4-10(8)12)11(13)5-6-14-2/h3-4,7,11,14H,5-6,13H2,1-2H3
InChIKeyKFFRULUFPKBEJD-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 118021340
1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 116932883
(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171204161
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
(1R)-3,3-difluoro-1-(4-fluoro-3-methylphenyl)propan-1-amine
CID 131295113
1-(4-fluoro-3-methylphenyl)-N'-methylmethanediamine
CID 116939268
1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine
CID 107008902
1-(4-fluoro-3-methylphenyl)-3-methylbutane-1,3-diamine
CID 116933519
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile
CID 55277483
1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933824
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine (CID 116932886) is 1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine is CNCCC(N)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is KFFRULUFPKBEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-8-7-9(3-4-10(8)12)11(13)5-6-14-2/h3-4,7,11,14H,5-6,13H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine?
1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 116932886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).