1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine

C13H21BrN2 — CID 116905528

IUPAC1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine
SMILESCC(CN)CC(c1ccccc1Br)N(C)C
InChIInChI=1S/C13H21BrN2/c1-10(9-15)8-13(16(2)3)11-6-4-5-7-12(11)14/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeyDCNGBTAMSWTUSA-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.04
Rot. Bonds5

About 1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine

1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine (PubChem CID 116905528) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine
PubChem CID116905528
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine
SMILESCC(CN)CC(c1ccccc1Br)N(C)C
InChIInChI=1S/C13H21BrN2/c1-10(9-15)8-13(16(2)3)11-6-4-5-7-12(11)14/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeyDCNGBTAMSWTUSA-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913535
1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980719
1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine
CID 116905841
N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693386
N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
CID 24694407
N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
CID 116905510
1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417147
3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
CID 60733986
1-(2-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55161280
methyl 4-(2-bromophenyl)-4-(dimethylamino)butanoate
CID 116910322
[2-[2-amino-1-(dimethylamino)ethyl]phenyl]boronic acid
CID 22945113
[1-(2-bromophenyl)-3-methylbutyl]hydrazine
CID 105208508

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine?
The IUPAC name of 1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine (CID 116905528) is 1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine is CC(CN)CC(c1ccccc1Br)N(C)C.
What is the InChIKey of 1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine?
The InChIKey is DCNGBTAMSWTUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-10(9-15)8-13(16(2)3)11-6-4-5-7-12(11)14/h4-7,10,13H,8-9,15H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine?
1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine has a molecular weight of 285.23 g/mol, XLogP of 3.04, 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,N,3-trimethylbutane-1,4-diamine is sourced from PubChem (CID 116905528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).