1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine

C12H19BrN2O — CID 116938873

IUPAC1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)C(N)c1cc(Br)ccc1OC
InChIInChI=1S/C12H19BrN2O/c1-12(2,15-3)11(14)9-7-8(13)5-6-10(9)16-4/h5-7,11,15H,14H2,1-4H3
InChIKeyOUBJFRQYOOBENS-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.46
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine

1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 116938873) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID116938873
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)C(N)c1cc(Br)ccc1OC
InChIInChI=1S/C12H19BrN2O/c1-12(2,15-3)11(14)9-7-8(13)5-6-10(9)16-4/h5-7,11,15H,14H2,1-4H3
InChIKeyOUBJFRQYOOBENS-UHFFFAOYSA-N
XLogP2.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(5-bromo-2-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 116940373
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257
1-(5-bromo-2-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949009
1-(5-bromo-2-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909226
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705506
1-(5-bromo-2-methoxyphenyl)-1-chloro-N-methylmethanamine
CID 116962060
(3S)-3-amino-3-(5-bromo-2-ethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241804
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580
4-bromo-2-(1-bromo-3,3-dimethylbutyl)-1-methoxybenzene
CID 63435538

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 116938873) is 1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine is CNC(C)(C)C(N)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is OUBJFRQYOOBENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-12(2,15-3)11(14)9-7-8(13)5-6-10(9)16-4/h5-7,11,15H,14H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 287.20 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 116938873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).