4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline

C11H17BrN2O — CID 102694579

IUPAC4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline
SMILESCOC(C)CNc1ccc(CN)cc1Br
InChIInChI=1S/C11H17BrN2O/c1-8(15-2)7-14-11-4-3-9(6-13)5-10(11)12/h3-5,8,14H,6-7,13H2,1-2H3
InChIKeyHEWKXKWHBUIODB-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.35
Rot. Bonds5

About 4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline

4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline (PubChem CID 102694579) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline
PubChem CID102694579
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline
SMILESCOC(C)CNc1ccc(CN)cc1Br
InChIInChI=1S/C11H17BrN2O/c1-8(15-2)7-14-11-4-3-9(6-13)5-10(11)12/h3-5,8,14H,6-7,13H2,1-2H3
InChIKeyHEWKXKWHBUIODB-UHFFFAOYSA-N
XLogP2.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-methoxypropyl)aniline
CID 102694583
5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine
CID 102694575
1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine
CID 102694434
5-bromo-2-(2-methoxypropylamino)benzenecarbothioamide
CID 102698271
5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline
CID 107592069
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
(3-bromo-4-propan-2-ylphenyl)methanamine
CID 83840012
2-(2-methoxypropylamino)-5-methylbenzenecarbothioamide
CID 107929339
2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine
CID 131137663
4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine
CID 102694501
5-bromo-N-(2-methoxypropyl)-2-nitroaniline
CID 102699028
2,6-dibromo-4-[(2-methoxypropylamino)methyl]phenol
CID 107741128

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline (CID 102694579) is 4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline is COC(C)CNc1ccc(CN)cc1Br.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline?
The InChIKey is HEWKXKWHBUIODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(15-2)7-14-11-4-3-9(6-13)5-10(11)12/h3-5,8,14H,6-7,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline?
4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline has a molecular weight of 273.17 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline is sourced from PubChem (CID 102694579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).