N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine

C16H27BrN2 — CID 115205088

IUPACN'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CN)CCNCC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C16H27BrN2/c1-15(2,11-18)9-10-19-12-16(3,4)13-5-7-14(17)8-6-13/h5-8,19H,9-12,18H2,1-4H3
InChIKeyRXDOSEDGTUEBEM-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.69
Rot. Bonds7

About N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine

N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine (PubChem CID 115205088) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine
PubChem CID115205088
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC NameN'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CN)CCNCC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C16H27BrN2/c1-15(2,11-18)9-10-19-12-16(3,4)13-5-7-14(17)8-6-13/h5-8,19H,9-12,18H2,1-4H3
InChIKeyRXDOSEDGTUEBEM-UHFFFAOYSA-N
XLogP3.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-bromophenyl)-2-methylpropyl]amino]ethanethiol
CID 115224463
3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120181
3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol
CID 115135576
3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine
CID 79829851
3-methyl-1-N-[2-methyl-2-(4-methylphenyl)propyl]butane-1,3-diamine
CID 115200921
methyl 4-[[2-(4-bromophenyl)-2-methylpropyl]amino]butanoate
CID 115233542
2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251147
3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine
CID 115200944
1-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115200923
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine
CID 115195580
2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine
CID 115124663

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine (CID 115205088) is N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine is CC(C)(CN)CCNCC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine?
The InChIKey is RXDOSEDGTUEBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-15(2,11-18)9-10-19-12-16(3,4)13-5-7-14(17)8-6-13/h5-8,19H,9-12,18H2,1-4H3.
What are the key properties of N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine?
N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine has a molecular weight of 327.31 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115205088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).