N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine

C13H21BrN2 — CID 115252380

IUPACN'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CN(C)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2/c1-10(2)11(8-15)9-16(3)13-6-4-12(14)5-7-13/h4-7,10-11H,8-9,15H2,1-3H3
InChIKeyMIJDVUYDAIICEG-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.12
Rot. Bonds5

About N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine

N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252380) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252380
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC NameN'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CN(C)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2/c1-10(2)11(8-15)9-16(3)13-6-4-12(14)5-7-13/h4-7,10-11H,8-9,15H2,1-3H3
InChIKeyMIJDVUYDAIICEG-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252422
N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252382
2-amino-3-(4-bromo-N-methylanilino)propan-1-ol
CID 115120371
N'-[(5-bromo-2-methylphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252546
N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252439
1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 115199107
2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131728
methyl 2-[(4-bromo-N-methylanilino)methyl]butanoate
CID 115253055
4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 61415399
N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204773
4-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 63786890
1-(4-bromophenyl)-1-methylhydrazine
CID 12754267

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (CID 115252380) is N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CN(C)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is MIJDVUYDAIICEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-10(2)11(8-15)9-16(3)13-6-4-12(14)5-7-13/h4-7,10-11H,8-9,15H2,1-3H3.
What are the key properties of N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 285.23 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).