1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine

C13H21BrN2 — CID 62619765

IUPAC1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CCC(N)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2/c1-3-9-16(2)10-8-13(15)11-4-6-12(14)7-5-11/h4-7,13H,3,8-10,15H2,1-2H3
InChIKeyJSKIDFYYVULBRP-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.18
Rot. Bonds6

About 1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine

1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine (PubChem CID 62619765) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
PubChem CID62619765
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CCC(N)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2/c1-3-9-16(2)10-8-13(15)11-4-6-12(14)7-5-11/h4-7,13H,3,8-10,15H2,1-2H3
InChIKeyJSKIDFYYVULBRP-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 62617872
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 62618426
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine
CID 62619631
1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62619476
1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine
CID 63494766
2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol
CID 62619789
1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine
CID 62617204
1-(4-bromophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274523
1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
CID 62618887

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine (CID 62619765) is 1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine is CCCN(C)CCC(N)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is JSKIDFYYVULBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-3-9-16(2)10-8-13(15)11-4-6-12(14)7-5-11/h4-7,13H,3,8-10,15H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine?
1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 285.23 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62619765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).