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

C17H20BrFN2 — CID 63495016

IUPAC1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)c1cccc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrFN2/c1-20-17(13-5-3-6-14(18)11-13)9-10-21(2)16-8-4-7-15(19)12-16/h3-8,11-12,17,20H,9-10H2,1-2H3
InChIKeyGEJBNAJAGOMVMH-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.38
Rot. Bonds6

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

1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 63495016) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID63495016
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)c1cccc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrFN2/c1-20-17(13-5-3-6-14(18)11-13)9-10-21(2)16-8-4-7-15(19)12-16/h3-8,11-12,17,20H,9-10H2,1-2H3
InChIKeyGEJBNAJAGOMVMH-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63494088
1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol
CID 62617468
1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 62644803
N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613117
1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63495173
1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
CID 62618045
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 62618729
1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 63493560
1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62618958
N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 63482175
4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide
CID 63053993

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine (CID 63495016) is 1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine is CNC(CCN(C)c1cccc(F)c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is GEJBNAJAGOMVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-20-17(13-5-3-6-14(18)11-13)9-10-21(2)16-8-4-7-15(19)12-16/h3-8,11-12,17,20H,9-10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 351.26 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 63495016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).