1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine

C15H25BrN2 — CID 55022491

IUPAC1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
SMILESCC(C)C(C)N(C)C(c1ccccc1Br)C(C)N
InChIInChI=1S/C15H25BrN2/c1-10(2)12(4)18(5)15(11(3)17)13-8-6-7-9-14(13)16/h6-12,15H,17H2,1-5H3
InChIKeyDWQPDTDJLOSKEZ-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.81
Rot. Bonds5

About 1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine

1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine (PubChem CID 55022491) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
PubChem CID55022491
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
SMILESCC(C)C(C)N(C)C(c1ccccc1Br)C(C)N
InChIInChI=1S/C15H25BrN2/c1-10(2)12(4)18(5)15(11(3)17)13-8-6-7-9-14(13)16/h6-12,15H,17H2,1-5H3
InChIKeyDWQPDTDJLOSKEZ-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-N-butan-2-yl-1-N-methylpropane-1,2-diamine
CID 55022779
1-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384269
1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79471927
1-(2-bromophenyl)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine
CID 63694266
1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine
CID 55023020
3-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]propanenitrile
CID 55022343
1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913535
1-(2-bromophenyl)-1-fluoropropan-2-amine
CID 105490419
1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 82949019
1-N-methyl-1-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)butane-1,2-diamine
CID 55018231
2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide
CID 55022786
1-(2-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55022683

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine (CID 55022491) is 1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine is CC(C)C(C)N(C)C(c1ccccc1Br)C(C)N.
What is the InChIKey of 1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The InChIKey is DWQPDTDJLOSKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-10(2)12(4)18(5)15(11(3)17)13-8-6-7-9-14(13)16/h6-12,15H,17H2,1-5H3.
What are the key properties of 1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine?
1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.81, 5 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-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 55022491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).