N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine

C14H24FN3 — CID 63699831

IUPACN'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(C)CCN(C)CCC(N)c1ccccc1F
InChIInChI=1S/C14H24FN3/c1-17(2)10-11-18(3)9-8-14(16)12-6-4-5-7-13(12)15/h4-7,14H,8-11,16H2,1-3H3
InChIKeyJOVKGKURWYOZIF-UHFFFAOYSA-N
MW253.36 g/mol
LogP1.71
Rot. Bonds7

About N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine

N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 63699831) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID63699831
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC NameN'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(C)CCN(C)CCC(N)c1ccccc1F
InChIInChI=1S/C14H24FN3/c1-17(2)10-11-18(3)9-8-14(16)12-6-4-5-7-13(12)15/h4-7,14H,8-11,16H2,1-3H3
InChIKeyJOVKGKURWYOZIF-UHFFFAOYSA-N
XLogP1.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
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-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074159
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
N'-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699655
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643010
N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
CID 57188438
N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine
CID 62645216
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 63699831) is N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine is CN(C)CCN(C)CCC(N)c1ccccc1F.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is JOVKGKURWYOZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-17(2)10-11-18(3)9-8-14(16)12-6-4-5-7-13(12)15/h4-7,14H,8-11,16H2,1-3H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 253.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63699831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).