1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine

C18H23BrN2 — CID 63493719

IUPAC1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCc1ccc(N(C)CCC(N)c2ccccc2Br)c(C)c1
InChIInChI=1S/C18H23BrN2/c1-13-8-9-18(14(2)12-13)21(3)11-10-17(20)15-6-4-5-7-16(15)19/h4-9,12,17H,10-11,20H2,1-3H3
InChIKeyJACDHUKXHPFUFC-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.59
Rot. Bonds5

About 1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine

1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 63493719) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
PubChem CID63493719
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCc1ccc(N(C)CCC(N)c2ccccc2Br)c(C)c1
InChIInChI=1S/C18H23BrN2/c1-13-8-9-18(14(2)12-13)21(3)11-10-17(20)15-6-4-5-7-16(15)19/h4-9,12,17H,10-11,20H2,1-3H3
InChIKeyJACDHUKXHPFUFC-UHFFFAOYSA-N
XLogP4.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489442
1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 63493532
4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol
CID 62630585
1-(2-bromophenyl)-N'-ethyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 63494059
1-(2-bromophenyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 62629071
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55098747
1-(2-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624168
2-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]propan-1-ol
CID 104554558
(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050
1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625043
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine (CID 63493719) is 1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine is Cc1ccc(N(C)CCC(N)c2ccccc2Br)c(C)c1.
What is the InChIKey of 1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is JACDHUKXHPFUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-13-8-9-18(14(2)12-13)21(3)11-10-17(20)15-6-4-5-7-16(15)19/h4-9,12,17H,10-11,20H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine?
1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 347.30 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63493719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).