1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine

C11H17FN2 — CID 62644975

IUPAC1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1ccccc1F
InChIInChI=1S/C11H17FN2/c1-14(2)8-7-11(13)9-5-3-4-6-10(9)12/h3-6,11H,7-8,13H2,1-2H3
InChIKeyIFSIQQQRZYEQCA-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.78
Rot. Bonds4

About 1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine

1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 62644975) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID62644975
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1ccccc1F
InChIInChI=1S/C11H17FN2/c1-14(2)8-7-11(13)9-5-3-4-6-10(9)12/h3-6,11H,7-8,13H2,1-2H3
InChIKeyIFSIQQQRZYEQCA-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699831
1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487482
1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine
CID 62645170
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074159
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643010
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268
1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 106645991
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine (CID 62644975) is 1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCC(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is IFSIQQQRZYEQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-14(2)8-7-11(13)9-5-3-4-6-10(9)12/h3-6,11H,7-8,13H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62644975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).