N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine

C12H19FN2 — CID 114525201

IUPACN-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(F)cc(NCCCN(C)C)c1
InChIInChI=1S/C12H19FN2/c1-10-7-11(13)9-12(8-10)14-5-4-6-15(2)3/h7-9,14H,4-6H2,1-3H3
InChIKeyYWMAGXAEBRWBCZ-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.50
Rot. Bonds5

About N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine

N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 114525201) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID114525201
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(F)cc(NCCCN(C)C)c1
InChIInChI=1S/C12H19FN2/c1-10-7-11(13)9-12(8-10)14-5-4-6-15(2)3/h7-9,14H,4-6H2,1-3H3
InChIKeyYWMAGXAEBRWBCZ-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525058
3-fluoro-5-methyl-N-(4,4,4-trifluorobutyl)aniline
CID 115513789
N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525080
N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 79692011
3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine
CID 112646930
3-fluoro-5-methyl-N-(4-phenylbutyl)aniline
CID 114333431
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
6-N-[3-(dimethylamino)propyl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857799
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
1-(3-fluoro-5-methylanilino)propan-2-one
CID 143897845
1-N-[3-(dimethylamino)propyl]-4-methylbenzene-1,3-diamine
CID 62910379
3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline
CID 106723957

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine (CID 114525201) is N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine is Cc1cc(F)cc(NCCCN(C)C)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is YWMAGXAEBRWBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-10-7-11(13)9-12(8-10)14-5-4-6-15(2)3/h7-9,14H,4-6H2,1-3H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine?
N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114525201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).