1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine

C14H23BrN2 — CID 55098747

IUPAC1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(C)CCC(N)c1ccccc1Br
InChIInChI=1S/C14H23BrN2/c1-11(2)10-17(3)9-8-14(16)12-6-4-5-7-13(12)15/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyOEIBRWBMRFOPCD-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.43
Rot. Bonds6

About 1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine

1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 55098747) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID55098747
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(C)CCC(N)c1ccccc1Br
InChIInChI=1S/C14H23BrN2/c1-11(2)10-17(3)9-8-14(16)12-6-4-5-7-13(12)15/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyOEIBRWBMRFOPCD-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
1-(2-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624168
1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625043
2-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]propan-1-ol
CID 104554558
1-(2-bromophenyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 62629071
1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62630300
1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62628732
4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol
CID 62630585
N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine
CID 63682366
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268
1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 55098123
(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 55098747) is 1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CN(C)CCC(N)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is OEIBRWBMRFOPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-11(2)10-17(3)9-8-14(16)12-6-4-5-7-13(12)15/h4-7,11,14H,8-10,16H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 55098747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).