2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline

C25H19Cl2NO — CID 19813723

IUPAC2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline
SMILESClc1cccc(Cl)c1Nc1ccc(Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H19Cl2NO/c26-23-10-5-11-24(27)25(23)28-20-14-12-18(13-15-20)16-19-6-4-9-22(17-19)29-21-7-2-1-3-8-21/h1-15,17,28H,16H2
InChIKeyBJRWFUXCXTZGSJ-UHFFFAOYSA-N
MW420.34 g/mol
LogP8.12
Rot. Bonds6

About 2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline

2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline (PubChem CID 19813723) has the molecular formula C25H19Cl2NO and a molecular weight of 420.34 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline
PubChem CID19813723
Molecular FormulaC25H19Cl2NO
Molecular Weight420.34 g/mol
Exact Mass419.08
IUPAC Name2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline
SMILESClc1cccc(Cl)c1Nc1ccc(Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H19Cl2NO/c26-23-10-5-11-24(27)25(23)28-20-14-12-18(13-15-20)16-19-6-4-9-22(17-19)29-21-7-2-1-3-8-21/h1-15,17,28H,16H2
InChIKeyBJRWFUXCXTZGSJ-UHFFFAOYSA-N
XLogP8.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline
CID 19831510
4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol
CID 101277634
2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline
CID 19813720
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
CID 159021817
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006
3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
CID 153483727
(3-phenoxyphenyl)methylphosphane
CID 70930904
CID 163958367
CID 163958367
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline?
The IUPAC name of 2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline (CID 19813723) is 2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline is Clc1cccc(Cl)c1Nc1ccc(Cc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline?
The InChIKey is BJRWFUXCXTZGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2NO/c26-23-10-5-11-24(27)25(23)28-20-14-12-18(13-15-20)16-19-6-4-9-22(17-19)29-21-7-2-1-3-8-21/h1-15,17,28H,16H2.
What are the key properties of 2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline?
2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline has a molecular weight of 420.34 g/mol, XLogP of 8.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline is sourced from PubChem (CID 19813723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).