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

C15H24BrClN2 — CID 83236305

IUPAC1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNCc1ccc(Cl)c(Br)c1)N(C)C
InChIInChI=1S/C15H24BrClN2/c1-11(2)7-13(19(3)4)10-18-9-12-5-6-15(17)14(16)8-12/h5-6,8,11,13,18H,7,9-10H2,1-4H3
InChIKeyOMUGJUPODWBMCX-UHFFFAOYSA-N
MW347.73 g/mol
LogP4.17
Rot. Bonds7

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

1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 83236305) has the molecular formula C15H24BrClN2 and a molecular weight of 347.73 g/mol. Its IUPAC name is 1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID83236305
Molecular FormulaC15H24BrClN2
Molecular Weight347.73 g/mol
Exact Mass346.08
IUPAC Name1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNCc1ccc(Cl)c(Br)c1)N(C)C
InChIInChI=1S/C15H24BrClN2/c1-11(2)7-13(19(3)4)10-18-9-12-5-6-15(17)14(16)8-12/h5-6,8,11,13,18H,7,9-10H2,1-4H3
InChIKeyOMUGJUPODWBMCX-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine with MolForge

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Related Compounds

1-N-[(4-bromo-3-nitrophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43434700
1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 66159282
N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 83232282
N-[(3-bromo-4-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83230110
1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 103581679
1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107037727
1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43096585
2-N,2-N,4-trimethyl-1-N-[(4-nitrophenyl)methyl]pentane-1,2-diamine
CID 43207961
N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115904861
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine
CID 75871522
N-[(3-bromo-4-chlorophenyl)methyl]but-2-yn-1-amine
CID 115908797

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 83236305) is 1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CNCc1ccc(Cl)c(Br)c1)N(C)C.
What is the InChIKey of 1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is OMUGJUPODWBMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrClN2/c1-11(2)7-13(19(3)4)10-18-9-12-5-6-15(17)14(16)8-12/h5-6,8,11,13,18H,7,9-10H2,1-4H3.
What are the key properties of 1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 347.73 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 83236305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).