N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine

C12H19BrN2 — CID 115199854

IUPACN'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCc1ccc(Br)cc1NCC(C)(C)CN
InChIInChI=1S/C12H19BrN2/c1-9-4-5-10(13)6-11(9)15-8-12(2,3)7-14/h4-6,15H,7-8,14H2,1-3H3
InChIKeyMVLIUEQLWFQQAI-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.15
Rot. Bonds4

About N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine

N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 115199854) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID115199854
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC NameN'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCc1ccc(Br)cc1NCC(C)(C)CN
InChIInChI=1S/C12H19BrN2/c1-9-4-5-10(13)6-11(9)15-8-12(2,3)7-14/h4-6,15H,7-8,14H2,1-3H3
InChIKeyMVLIUEQLWFQQAI-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine (CID 115199854) is N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine is Cc1ccc(Br)cc1NCC(C)(C)CN.
What is the InChIKey of N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is MVLIUEQLWFQQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-9-4-5-10(13)6-11(9)15-8-12(2,3)7-14/h4-6,15H,7-8,14H2,1-3H3.
What are the key properties of N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine?
N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 271.20 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115199854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).