2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine

C13H21BrN2 — CID 62435018

IUPAC2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CNC)N(C)Cc1ccccc1Br
InChIInChI=1S/C13H21BrN2/c1-4-12(9-15-2)16(3)10-11-7-5-6-8-13(11)14/h5-8,12,15H,4,9-10H2,1-3H3
InChIKeyOWIJCIGPKLHZCH-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.88
Rot. Bonds6

About 2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine

2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine (PubChem CID 62435018) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
PubChem CID62435018
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CNC)N(C)Cc1ccccc1Br
InChIInChI=1S/C13H21BrN2/c1-4-12(9-15-2)16(3)10-11-7-5-6-8-13(11)14/h5-8,12,15H,4,9-10H2,1-3H3
InChIKeyOWIJCIGPKLHZCH-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine
CID 62435019
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072605
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine
CID 55074902
2-N-[(2-bromophenyl)methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226067
1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol
CID 61416140
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63503088
1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62437137
2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087665
2-N-[(2-bromophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62570545
2-N-[(2-bromophenyl)methyl]-4-ethylsulfanyl-2-N-methylbutane-1,2-diamine
CID 116504016
N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115255045
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine (CID 62435018) is 2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine is CCC(CNC)N(C)Cc1ccccc1Br.
What is the InChIKey of 2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine?
The InChIKey is OWIJCIGPKLHZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-4-12(9-15-2)16(3)10-11-7-5-6-8-13(11)14/h5-8,12,15H,4,9-10H2,1-3H3.
What are the key properties of 2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine?
2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine has a molecular weight of 285.23 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 62435018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).