1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine

C10H15FN2 — CID 116932883

IUPAC1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCNCCC(N)c1ccc(F)cc1
InChIInChI=1S/C10H15FN2/c1-13-7-6-10(12)8-2-4-9(11)5-3-8/h2-5,10,13H,6-7,12H2,1H3
InChIKeyABUKSWAQHLYKHX-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.43
Rot. Bonds4

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

1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 116932883) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID116932883
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCNCCC(N)c1ccc(F)cc1
InChIInChI=1S/C10H15FN2/c1-13-7-6-10(12)8-2-4-9(11)5-3-8/h2-5,10,13H,6-7,12H2,1H3
InChIKeyABUKSWAQHLYKHX-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933824
1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine
CID 116932886
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511
1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 118021340
1-(4-fluorophenyl)pentane-1,4-diamine
CID 116934284
4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine
CID 83918946
(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
CID 171199114
N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine
CID 10088401
1-(4-fluorophenyl)-N'-hexadecylpropane-1,3-diamine;dihydrochloride
CID 19996168
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
N'-methyl-1-(4-methylsulfanylphenyl)butane-1,4-diamine
CID 116933901
N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride
CID 19996189

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 116932883) is 1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine is CNCCC(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is ABUKSWAQHLYKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-13-7-6-10(12)8-2-4-9(11)5-3-8/h2-5,10,13H,6-7,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 182.24 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 116932883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).