1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

C12H18BrClN2 — CID 103581679

IUPAC1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1ccc(Br)c(Cl)c1)N(C)C
InChIInChI=1S/C12H18BrClN2/c1-9(16(2)3)7-15-8-10-4-5-11(13)12(14)6-10/h4-6,9,15H,7-8H2,1-3H3
InChIKeyJGASHBLNWPGHQN-UHFFFAOYSA-N
MW305.65 g/mol
LogP3.14
Rot. Bonds5

About 1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 103581679) has the molecular formula C12H18BrClN2 and a molecular weight of 305.65 g/mol. Its IUPAC name is 1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID103581679
Molecular FormulaC12H18BrClN2
Molecular Weight305.65 g/mol
Exact Mass304.03
IUPAC Name1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1ccc(Br)c(Cl)c1)N(C)C
InChIInChI=1S/C12H18BrClN2/c1-9(16(2)3)7-15-8-10-4-5-11(13)12(14)6-10/h4-6,9,15H,7-8H2,1-3H3
InChIKeyJGASHBLNWPGHQN-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.65
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 103581768
1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 103581874
2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol
CID 107740697
N-[(4-bromo-3-chlorophenyl)methyl]propan-1-amine;fluoromethane
CID 142451886
1-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913044
1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 83236305
1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115683677
1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 63646570
3-N-[(4-bromo-3-chlorophenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 103581647
1-[(4-bromo-3-chlorophenyl)methylamino]pentan-3-ol
CID 103581804
4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
CID 107685688
1-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913380

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 103581679) is 1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is CC(CNCc1ccc(Br)c(Cl)c1)N(C)C.
What is the InChIKey of 1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is JGASHBLNWPGHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2/c1-9(16(2)3)7-15-8-10-4-5-11(13)12(14)6-10/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of 1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 305.65 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103581679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).