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

C16H19BrN2 — CID 115124663

IUPAC2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine
SMILESCC(C)(CNc1ccccc1N)c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2/c1-16(2,12-7-9-13(17)10-8-12)11-19-15-6-4-3-5-14(15)18/h3-10,19H,11,18H2,1-2H3
InChIKeyHYXNPDAUXNZVNI-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.42
Rot. Bonds4

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

2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine (PubChem CID 115124663) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine
PubChem CID115124663
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine
SMILESCC(C)(CNc1ccccc1N)c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2/c1-16(2,12-7-9-13(17)10-8-12)11-19-15-6-4-3-5-14(15)18/h3-10,19H,11,18H2,1-2H3
InChIKeyHYXNPDAUXNZVNI-UHFFFAOYSA-N
XLogP4.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(4-bromophenyl)-2-methylpropyl]-4-fluorobenzene-1,2-diamine
CID 115124889
2-N-[2-(4-bromophenyl)-2-methylpropyl]-3-fluorobenzene-1,2-diamine
CID 115125907
2-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]benzene-1,2-diamine
CID 115124665
2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine
CID 115147522
N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970142
2-amino-N-[2-(4-bromophenyl)-2-methylpropyl]-2-phenylacetamide
CID 119295146
1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243794
2-[[2-(4-bromophenyl)-2-methylpropyl]amino]ethanethiol
CID 115224463
3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120181
1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine
CID 5250269
N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine
CID 115205088
3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol
CID 115135576

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine (CID 115124663) is 2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine is CC(C)(CNc1ccccc1N)c1ccc(Br)cc1.
What is the InChIKey of 2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine?
The InChIKey is HYXNPDAUXNZVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-16(2,12-7-9-13(17)10-8-12)11-19-15-6-4-3-5-14(15)18/h3-10,19H,11,18H2,1-2H3.
What are the key properties of 2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine?
2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine has a molecular weight of 319.25 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine is sourced from PubChem (CID 115124663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).