N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine

C18H22BrN — CID 63454939

IUPACN-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCc2ccccc2Br)cc1C
InChIInChI=1S/C18H22BrN/c1-12-9-14(3)17(10-13(12)2)15(4)20-11-16-7-5-6-8-18(16)19/h5-10,15,20H,11H2,1-4H3
InChIKeyKXZWWOKLWYQKKB-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.23
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine

N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 63454939) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID63454939
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC NameN-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCc2ccccc2Br)cc1C
InChIInChI=1S/C18H22BrN/c1-12-9-14(3)17(10-13(12)2)15(4)20-11-16-7-5-6-8-18(16)19/h5-10,15,20H,11H2,1-4H3
InChIKeyKXZWWOKLWYQKKB-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)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-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950405
(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
(1S)-1-(2-bromophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81379135
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 81384034
N-[(4-methylphenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 43103422
N-[2-(2-fluorophenyl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 43097346
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61015592
1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine
CID 107859698
N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43221361
N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 43106256

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine (CID 63454939) is N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)NCc2ccccc2Br)cc1C.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is KXZWWOKLWYQKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-12-9-14(3)17(10-13(12)2)15(4)20-11-16-7-5-6-8-18(16)19/h5-10,15,20H,11H2,1-4H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine?
N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 332.29 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 63454939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).