N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine

C15H25BrN2 — CID 115252622

IUPACN'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CN(C)CCc1ccccc1Br
InChIInChI=1S/C15H25BrN2/c1-12(2)14(10-17)11-18(3)9-8-13-6-4-5-7-15(13)16/h4-7,12,14H,8-11,17H2,1-3H3
InChIKeyLGUMKEJARQLFDG-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.15
Rot. Bonds7

About N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine

N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252622) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252622
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC NameN'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CN(C)CCc1ccccc1Br
InChIInChI=1S/C15H25BrN2/c1-12(2)14(10-17)11-18(3)9-8-13-6-4-5-7-15(13)16/h4-7,12,14H,8-11,17H2,1-3H3
InChIKeyLGUMKEJARQLFDG-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(2-bromophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040195
3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115252258
N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252939
N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
CID 117044248
N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115206136
4-(2-bromophenyl)-2-methylbutan-1-amine
CID 64664319
N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252941
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61420053
1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one
CID 115235229
N'-[(5-bromo-2-methylphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252546
2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345179
1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416139

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine (CID 115252622) is N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CN(C)CCc1ccccc1Br.
What is the InChIKey of N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is LGUMKEJARQLFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-12(2)14(10-17)11-18(3)9-8-13-6-4-5-7-15(13)16/h4-7,12,14H,8-11,17H2,1-3H3.
What are the key properties of N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).