1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine

C10H14BrNO — CID 83899796

IUPAC1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(Br)c1CNC
InChIInChI=1S/C10H14BrNO/c1-3-13-10-6-4-5-9(11)8(10)7-12-2/h4-6,12H,3,7H2,1-2H3
InChIKeyPHXCGFIYIQWHRC-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.57
Rot. Bonds4

About 1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine

1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine (PubChem CID 83899796) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine
PubChem CID83899796
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(Br)c1CNC
InChIInChI=1S/C10H14BrNO/c1-3-13-10-6-4-5-9(11)8(10)7-12-2/h4-6,12H,3,7H2,1-2H3
InChIKeyPHXCGFIYIQWHRC-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-(methylaminomethyl)phenol
CID 84734958
2-bromo-6-ethoxybenzenethiol
CID 91874370
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220
1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine
CID 117301707
1-(2-bromo-6-ethoxyphenyl)ethanol
CID 133057756
(2-bromo-6-ethoxyphenyl)phosphonic acid
CID 175587032
1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842971
2-[(2-bromo-6-ethoxyanilino)methylidene]propanedinitrile
CID 168542186

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine (CID 83899796) is 1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine is CCOc1cccc(Br)c1CNC.
What is the InChIKey of 1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is PHXCGFIYIQWHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-3-13-10-6-4-5-9(11)8(10)7-12-2/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine?
1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 244.13 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 83899796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).