N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline

C20H17BrClNO — CID 126116599

IUPACN-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline
SMILESClc1ccc(OCc2ccc(Br)cc2)c(CNc2ccccc2)c1
InChIInChI=1S/C20H17BrClNO/c21-17-8-6-15(7-9-17)14-24-20-11-10-18(22)12-16(20)13-23-19-4-2-1-3-5-19/h1-12,23H,13-14H2
InChIKeyASMKRQOIBLVXOZ-UHFFFAOYSA-N
MW402.72 g/mol
LogP6.29
Rot. Bonds6

About N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline

N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline (PubChem CID 126116599) has the molecular formula C20H17BrClNO and a molecular weight of 402.72 g/mol. Its IUPAC name is N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline
PubChem CID126116599
Molecular FormulaC20H17BrClNO
Molecular Weight402.72 g/mol
Exact Mass401.02
IUPAC NameN-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline
SMILESClc1ccc(OCc2ccc(Br)cc2)c(CNc2ccccc2)c1
InChIInChI=1S/C20H17BrClNO/c21-17-8-6-15(7-9-17)14-24-20-11-10-18(22)12-16(20)13-23-19-4-2-1-3-5-19/h1-12,23H,13-14H2
InChIKeyASMKRQOIBLVXOZ-UHFFFAOYSA-N
XLogP6.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.72
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126212525
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline
CID 126122407
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126124166
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126121688
1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine
CID 169386020
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385373
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126124035
N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126118057
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-chloroaniline
CID 126187569
4-bromo-N-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66539871
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline?
The IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline (CID 126116599) is N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline.
What is the SMILES notation for N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline?
The canonical SMILES for N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline is Clc1ccc(OCc2ccc(Br)cc2)c(CNc2ccccc2)c1.
What is the InChIKey of N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline?
The InChIKey is ASMKRQOIBLVXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClNO/c21-17-8-6-15(7-9-17)14-24-20-11-10-18(22)12-16(20)13-23-19-4-2-1-3-5-19/h1-12,23H,13-14H2.
What are the key properties of N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline?
N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline has a molecular weight of 402.72 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline is sourced from PubChem (CID 126116599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).