1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine

C14H23BrN2 — CID 55023020

IUPAC1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine
SMILESCCCCN(C)C(c1ccccc1Br)C(C)N
InChIInChI=1S/C14H23BrN2/c1-4-5-10-17(3)14(11(2)16)12-8-6-7-9-13(12)15/h6-9,11,14H,4-5,10,16H2,1-3H3
InChIKeyGMNSMHBOAULCKZ-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.57
Rot. Bonds6

About 1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine

1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine (PubChem CID 55023020) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine
PubChem CID55023020
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine
SMILESCCCCN(C)C(c1ccccc1Br)C(C)N
InChIInChI=1S/C14H23BrN2/c1-4-5-10-17(3)14(11(2)16)12-8-6-7-9-13(12)15/h6-9,11,14H,4-5,10,16H2,1-3H3
InChIKeyGMNSMHBOAULCKZ-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine
CID 63694266
1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55018949
3-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]propanenitrile
CID 55022343
1-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384269
1-(2-bromophenyl)-1-N-butan-2-yl-1-N-methylpropane-1,2-diamine
CID 55022779
1-(2-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55022683
2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide
CID 55022786
1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 55022491
1-(2-bromophenyl)-1-N-methyl-1-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 112657300
2-[[2-amino-1-(2-bromophenyl)propyl]-ethylamino]acetamide
CID 103101294
1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine
CID 63406143
(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine (CID 55023020) is 1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine is CCCCN(C)C(c1ccccc1Br)C(C)N.
What is the InChIKey of 1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine?
The InChIKey is GMNSMHBOAULCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-5-10-17(3)14(11(2)16)12-8-6-7-9-13(12)15/h6-9,11,14H,4-5,10,16H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine?
1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55023020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).