N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline

C26H22BrNO2 — CID 68614299

IUPACN-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline
SMILESCOc1ccccc1N(c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1OC
InChIInChI=1S/C26H22BrNO2/c1-29-25-9-5-3-7-23(25)28(24-8-4-6-10-26(24)30-2)22-17-13-20(14-18-22)19-11-15-21(27)16-12-19/h3-18H,1-2H3
InChIKeyQZMKYTPFVITBRK-UHFFFAOYSA-N
MW460.37 g/mol
LogP7.60
Rot. Bonds6

About N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline

N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline (PubChem CID 68614299) has the molecular formula C26H22BrNO2 and a molecular weight of 460.37 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline
PubChem CID68614299
Molecular FormulaC26H22BrNO2
Molecular Weight460.37 g/mol
Exact Mass459.08
IUPAC NameN-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline
SMILESCOc1ccccc1N(c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1OC
InChIInChI=1S/C26H22BrNO2/c1-29-25-9-5-3-7-23(25)28(24-8-4-6-10-26(24)30-2)22-17-13-20(14-18-22)19-11-15-21(27)16-12-19/h3-18H,1-2H3
InChIKeyQZMKYTPFVITBRK-UHFFFAOYSA-N
XLogP7.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.37
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N,N-bis(4-methoxyphenyl)aniline
CID 54235747
4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 101442769
2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 154951531
4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol
CID 67674762
N-[4-[4-(4-bromo-N-(2-phenylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)-2-phenylaniline
CID 155198907
anisole;1-bromo-4-(4-bromophenyl)benzene
CID 159969810
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-[4-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-1-N-naphthalen-1-ylbenzene-1,4-diamine;1-N-(2-methoxyphenyl)-4-N-[4-[4-[4-(N-(2-methoxyphenyl)anilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(4-methyl-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino)phenyl]phenyl]-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine;1-N-(3-methylphenyl)-1-N-[4-[4-[N-(3-methylphenyl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 160896783
N-[4-(4-bromophenyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160874814
1-(4-bromophenyl)-4-(2-methoxyphenyl)naphthalene
CID 102287803
4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139847758

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline?
The IUPAC name of N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline (CID 68614299) is N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline.
What is the SMILES notation for N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline?
The canonical SMILES for N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline is COc1ccccc1N(c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1OC.
What is the InChIKey of N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline?
The InChIKey is QZMKYTPFVITBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrNO2/c1-29-25-9-5-3-7-23(25)28(24-8-4-6-10-26(24)30-2)22-17-13-20(14-18-22)19-11-15-21(27)16-12-19/h3-18H,1-2H3.
What are the key properties of N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline?
N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline has a molecular weight of 460.37 g/mol, XLogP of 7.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline is sourced from PubChem (CID 68614299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).