N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine

C19H24BrN — CID 114330651

IUPACN-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C19H24BrN/c1-5-15-7-9-16(10-8-15)19(21-6-2)17-11-13(3)18(20)14(4)12-17/h7-12,19,21H,5-6H2,1-4H3
InChIKeyXOAODTOGBXIUKJ-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.33
Rot. Bonds5

About N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine

N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine (PubChem CID 114330651) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
PubChem CID114330651
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC NameN-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C19H24BrN/c1-5-15-7-9-16(10-8-15)19(21-6-2)17-11-13(3)18(20)14(4)12-17/h7-12,19,21H,5-6H2,1-4H3
InChIKeyXOAODTOGBXIUKJ-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)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

N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 107974191
N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
N-[(4-bromo-3,5-dimethylphenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 114330705
N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 114330646
N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104551
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43489966
N-[(4-bromo-3,5-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114330791
N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489197
N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114330731

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine (CID 114330651) is N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine is CCNC(c1ccc(CC)cc1)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine?
The InChIKey is XOAODTOGBXIUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-5-15-7-9-16(10-8-15)19(21-6-2)17-11-13(3)18(20)14(4)12-17/h7-12,19,21H,5-6H2,1-4H3.
What are the key properties of N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine?
N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 114330651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).