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

C12H19BrN2 — CID 82379119

IUPAC4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCN(C)CCC(N)Cc1ccccc1Br
InChIInChI=1S/C12H19BrN2/c1-15(2)8-7-11(14)9-10-5-3-4-6-12(10)13/h3-6,11H,7-9,14H2,1-2H3
InChIKeyDXOLGJFIFDHEMP-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.27
Rot. Bonds5

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

4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 82379119) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID82379119
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCN(C)CCC(N)Cc1ccccc1Br
InChIInChI=1S/C12H19BrN2/c1-15(2)8-7-11(14)9-10-5-3-4-6-12(10)13/h3-6,11H,7-9,14H2,1-2H3
InChIKeyDXOLGJFIFDHEMP-UHFFFAOYSA-N
XLogP2.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 106733914
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-bromophenyl)ethanamine
CID 114650069
1-(2-bromophenyl)pent-4-yn-2-amine
CID 62828473
4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 114932542
1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105087550
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098425
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066221
2-(2-bromophenyl)-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]ethanamine
CID 114650064
N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63795925
1-(2-bromophenyl)-3,3-difluorobutan-2-amine
CID 84711182
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 82379119) is 4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine is CN(C)CCC(N)Cc1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is DXOLGJFIFDHEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-15(2)8-7-11(14)9-10-5-3-4-6-12(10)13/h3-6,11H,7-9,14H2,1-2H3.
What are the key properties of 4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 271.20 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 82379119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).