1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine

C15H25BrN2 — CID 55015882

IUPAC1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
SMILESCCCC(C)N(C)C(c1ccc(Br)cc1)C(C)N
InChIInChI=1S/C15H25BrN2/c1-5-6-11(2)18(4)15(12(3)17)13-7-9-14(16)10-8-13/h7-12,15H,5-6,17H2,1-4H3
InChIKeyHBUYLTOECQUCOD-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.96
Rot. Bonds6

About 1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine

1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine (PubChem CID 55015882) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
PubChem CID55015882
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
SMILESCCCC(C)N(C)C(c1ccc(Br)cc1)C(C)N
InChIInChI=1S/C15H25BrN2/c1-5-6-11(2)18(4)15(12(3)17)13-7-9-14(16)10-8-13/h7-12,15H,5-6,17H2,1-4H3
InChIKeyHBUYLTOECQUCOD-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55015880
1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55015975
1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine
CID 55015637
1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55016024
1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384679
1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 63406064
1-bromo-4-(1-pentan-2-yloxyethyl)benzene
CID 123476131
1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283082
1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
CID 62619765
1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine
CID 55017229
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine (CID 55015882) is 1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine is CCCC(C)N(C)C(c1ccc(Br)cc1)C(C)N.
What is the InChIKey of 1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine?
The InChIKey is HBUYLTOECQUCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-5-6-11(2)18(4)15(12(3)17)13-7-9-14(16)10-8-13/h7-12,15H,5-6,17H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine?
1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55015882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).