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

C12H19FN2 — CID 115346054

IUPAC1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(F)cc(C(N)CCN(C)C)c1
InChIInChI=1S/C12H19FN2/c1-9-6-10(8-11(13)7-9)12(14)4-5-15(2)3/h6-8,12H,4-5,14H2,1-3H3
InChIKeyMPIBVUYNOZAKAE-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.09
Rot. Bonds4

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

1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 115346054) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID115346054
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(F)cc(C(N)CCN(C)C)c1
InChIInChI=1S/C12H19FN2/c1-9-6-10(8-11(13)7-9)12(14)4-5-15(2)3/h6-8,12H,4-5,14H2,1-3H3
InChIKeyMPIBVUYNOZAKAE-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346261
1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 55282781
1-(3-fluoro-5-methylphenyl)-4-methylpent-4-en-1-amine
CID 114475629
3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine
CID 82922751
N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine
CID 58819068
N'-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699655
N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645408
3-amino-3-(3-fluoro-5-methylphenyl)propanamide
CID 55255925
2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol
CID 104554566
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
1-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol
CID 115345859

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine (CID 115346054) is 1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine is Cc1cc(F)cc(C(N)CCN(C)C)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is MPIBVUYNOZAKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9-6-10(8-11(13)7-9)12(14)4-5-15(2)3/h6-8,12H,4-5,14H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine?
1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115346054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).