N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine

C15H14BrCl2N — CID 17209550

IUPACN-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
SMILESClc1ccc(CCNCc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C15H14BrCl2N/c16-13-4-1-11(2-5-13)10-19-8-7-12-3-6-14(17)9-15(12)18/h1-6,9,19H,7-8,10H2
InChIKeyCIPKQVPWRVIZBA-UHFFFAOYSA-N
MW359.09 g/mol
LogP5.09
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine

N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine (PubChem CID 17209550) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
PubChem CID17209550
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC NameN-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
SMILESClc1ccc(CCNCc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C15H14BrCl2N/c16-13-4-1-11(2-5-13)10-19-8-7-12-3-6-14(17)9-15(12)18/h1-6,9,19H,7-8,10H2
InChIKeyCIPKQVPWRVIZBA-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115523434
4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17209952
N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 114452144
N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 103602762
2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399352
2-[4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]phenoxy]acetic acid;hydrochloride
CID 17209910
4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol
CID 61237272
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209764
3-[[2-(2,4-dichlorophenyl)ethylamino]methyl]benzoic acid
CID 103233798
N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine
CID 60649518
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine (CID 17209550) is N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine is Clc1ccc(CCNCc2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine?
The InChIKey is CIPKQVPWRVIZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c16-13-4-1-11(2-5-13)10-19-8-7-12-3-6-14(17)9-15(12)18/h1-6,9,19H,7-8,10H2.
What are the key properties of N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine?
N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine has a molecular weight of 359.09 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 17209550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).