1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine

C18H23BrN2 — CID 63495173

IUPAC1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(C)c1cccc(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H23BrN2/c1-14-5-4-6-17(13-14)21(3)12-11-18(20-2)15-7-9-16(19)10-8-15/h4-10,13,18,20H,11-12H2,1-3H3
InChIKeyIGZRANQKNGYPPZ-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.54
Rot. Bonds6

About 1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine

1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine (PubChem CID 63495173) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine
PubChem CID63495173
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(C)c1cccc(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H23BrN2/c1-14-5-4-6-17(13-14)21(3)12-11-18(20-2)15-7-9-16(19)10-8-15/h4-10,13,18,20H,11-12H2,1-3H3
InChIKeyIGZRANQKNGYPPZ-UHFFFAOYSA-N
XLogP4.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63495016
N-[2-(4-bromophenoxy)ethyl]-N,3-dimethylaniline
CID 63458172
1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine
CID 106799690
ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate
CID 55144515
N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
CID 62613615
1-(3-chlorophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63494088
3-(4-bromophenyl)-3-(methylamino)propan-1-ol
CID 64814914
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747
2-amino-4-(N,3-dimethylanilino)butanenitrile
CID 63027364
1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine
CID 102997097
methyl 2-amino-4-(N,3-dimethylanilino)butanoate
CID 63053473

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine (CID 63495173) is 1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine is CNC(CCN(C)c1cccc(C)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine?
The InChIKey is IGZRANQKNGYPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-14-5-4-6-17(13-14)21(3)12-11-18(20-2)15-7-9-16(19)10-8-15/h4-10,13,18,20H,11-12H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine?
1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine has a molecular weight of 347.30 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 63495173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).