N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline

C20H16BrCl2NO — CID 126184009

IUPACN-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline
SMILESClc1ccccc1COc1ccc(Br)cc1CNc1ccccc1Cl
InChIInChI=1S/C20H16BrCl2NO/c21-16-9-10-20(25-13-14-5-1-2-6-17(14)22)15(11-16)12-24-19-8-4-3-7-18(19)23/h1-11,24H,12-13H2
InChIKeyGTZXVMUEJPKRPK-UHFFFAOYSA-N
MW437.16 g/mol
LogP6.95
Rot. Bonds6

About N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline

N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline (PubChem CID 126184009) has the molecular formula C20H16BrCl2NO and a molecular weight of 437.16 g/mol. Its IUPAC name is N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline.

Molecular Properties

Compound NameN-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline
PubChem CID126184009
Molecular FormulaC20H16BrCl2NO
Molecular Weight437.16 g/mol
Exact Mass434.98
IUPAC NameN-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline
SMILESClc1ccccc1COc1ccc(Br)cc1CNc1ccccc1Cl
InChIInChI=1S/C20H16BrCl2NO/c21-16-9-10-20(25-13-14-5-1-2-6-17(14)22)15(11-16)12-24-19-8-4-3-7-18(19)23/h1-11,24H,12-13H2
InChIKeyGTZXVMUEJPKRPK-UHFFFAOYSA-N
XLogP6.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.16
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-chloroaniline
CID 126187569
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethoxyaniline
CID 126123701
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17155854
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride
CID 17296024
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716815
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332470
2-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66527672
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724119
(2S)-2-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40726356
N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline
CID 126121639
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121511
3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866319

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline?
The IUPAC name of N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline (CID 126184009) is N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline.
What is the SMILES notation for N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline?
The canonical SMILES for N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline is Clc1ccccc1COc1ccc(Br)cc1CNc1ccccc1Cl.
What is the InChIKey of N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline?
The InChIKey is GTZXVMUEJPKRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrCl2NO/c21-16-9-10-20(25-13-14-5-1-2-6-17(14)22)15(11-16)12-24-19-8-4-3-7-18(19)23/h1-11,24H,12-13H2.
What are the key properties of N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline?
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline has a molecular weight of 437.16 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline is sourced from PubChem (CID 126184009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).