2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine

C11H17BrN2 — CID 115131728

IUPAC2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(c1ccc(Br)cc1)C(C)(C)CN
InChIInChI=1S/C11H17BrN2/c1-11(2,8-13)14(3)10-6-4-9(12)5-7-10/h4-7H,8,13H2,1-3H3
InChIKeyVFRUPGZYWHZSDR-UHFFFAOYSA-N
MW257.18 g/mol
LogP2.62
Rot. Bonds3

About 2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine

2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115131728) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115131728
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(c1ccc(Br)cc1)C(C)(C)CN
InChIInChI=1S/C11H17BrN2/c1-11(2,8-13)14(3)10-6-4-9(12)5-7-10/h4-7H,8,13H2,1-3H3
InChIKeyVFRUPGZYWHZSDR-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115596113
N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204773
3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134535
N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252380
3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134633
2-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131746
2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131743
1-(4-bromophenyl)-1-methylhydrazine
CID 12754267
4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide
CID 115156946
2-amino-3-(4-bromo-N-methylanilino)propan-1-ol
CID 115120371
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
CID 106879187

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 115131728) is 2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine is CN(c1ccc(Br)cc1)C(C)(C)CN.
What is the InChIKey of 2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is VFRUPGZYWHZSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-11(2,8-13)14(3)10-6-4-9(12)5-7-10/h4-7H,8,13H2,1-3H3.
What are the key properties of 2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 257.18 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115131728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).