(4-bromo-2,6-diethylphenyl)methanamine

C11H16BrN — CID 58266734

IUPAC(4-bromo-2,6-diethylphenyl)methanamine
SMILESCCc1cc(Br)cc(CC)c1CN
InChIInChI=1S/C11H16BrN/c1-3-8-5-10(12)6-9(4-2)11(8)7-13/h5-6H,3-4,7,13H2,1-2H3
InChIKeyGOBQXMMCSXITNA-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.03
Rot. Bonds3

About (4-bromo-2,6-diethylphenyl)methanamine

(4-bromo-2,6-diethylphenyl)methanamine (PubChem CID 58266734) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is (4-bromo-2,6-diethylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-diethylphenyl)methanamine
PubChem CID58266734
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name(4-bromo-2,6-diethylphenyl)methanamine
SMILESCCc1cc(Br)cc(CC)c1CN
InChIInChI=1S/C11H16BrN/c1-3-8-5-10(12)6-9(4-2)11(8)7-13/h5-6H,3-4,7,13H2,1-2H3
InChIKeyGOBQXMMCSXITNA-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)-4-bromo-6-ethylbenzenediazonium
CID 158895500
(4-bromo-2-ethylphenyl)methanamine;ethane
CID 143720701
5-bromo-2-chloro-1,3-diethylbenzene
CID 44891102
4-bromo-2,6-diethylbenzamide
CID 68757322
4-bromo-2-ethyl-6-methylaniline
CID 960761
2-amino-5-bromo-3-ethylbenzenethiol
CID 81291404
(2,3,4,5-tetraethylphenyl)methanamine;hydrochloride
CID 173013560
[4,5-bis(aminomethyl)-2-ethylphenyl]methanamine
CID 70657615
(4-bromo-2,6-dimethoxyphenyl)methanamine
CID 130139852
(4-bromo-2,6-diethylphenyl)boronic acid
CID 59562663
[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine
CID 53474963
[5-bromo-2-(2-ethylsulfonylethoxy)-3-methylphenyl]methanamine
CID 112619878

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-diethylphenyl)methanamine?
The IUPAC name of (4-bromo-2,6-diethylphenyl)methanamine (CID 58266734) is (4-bromo-2,6-diethylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2,6-diethylphenyl)methanamine?
The canonical SMILES for (4-bromo-2,6-diethylphenyl)methanamine is CCc1cc(Br)cc(CC)c1CN.
What is the InChIKey of (4-bromo-2,6-diethylphenyl)methanamine?
The InChIKey is GOBQXMMCSXITNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-3-8-5-10(12)6-9(4-2)11(8)7-13/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of (4-bromo-2,6-diethylphenyl)methanamine?
(4-bromo-2,6-diethylphenyl)methanamine has a molecular weight of 242.16 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-diethylphenyl)methanamine is sourced from PubChem (CID 58266734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).