N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine

C18H22BrNO — CID 107985285

IUPACN-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1cccc(C)c1Br
InChIInChI=1S/C18H22BrNO/c1-4-20-18(16-11-6-8-13(3)17(16)19)14-9-7-10-15(12-14)21-5-2/h6-12,18,20H,4-5H2,1-3H3
InChIKeyYCFQDMPVCJIFKI-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.86
Rot. Bonds6

About N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine

N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine (PubChem CID 107985285) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
PubChem CID107985285
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1cccc(C)c1Br
InChIInChI=1S/C18H22BrNO/c1-4-20-18(16-11-6-8-13(3)17(16)19)14-9-7-10-15(12-14)21-5-2/h6-12,18,20H,4-5H2,1-3H3
InChIKeyYCFQDMPVCJIFKI-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine 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

[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 107986143
N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 107984777
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 63988191
N-[(3-bromo-4-methoxyphenyl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107981905
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 115786059
N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105022297
N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107946517
N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155416
N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107968848
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 114646181

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine (CID 107985285) is N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OCC)c1)c1cccc(C)c1Br.
What is the InChIKey of N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine?
The InChIKey is YCFQDMPVCJIFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-20-18(16-11-6-8-13(3)17(16)19)14-9-7-10-15(12-14)21-5-2/h6-12,18,20H,4-5H2,1-3H3.
What are the key properties of N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine?
N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine has a molecular weight of 348.28 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107985285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).