2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline

C20H15Cl4NO — CID 126184186

IUPAC2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1cccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)c1
InChIInChI=1S/C20H15Cl4NO/c21-15-5-3-4-13(8-15)12-26-20-17(23)9-14(10-18(20)24)11-25-19-7-2-1-6-16(19)22/h1-10,25H,11-12H2
InChIKeyDQUDRCGXVXCGRE-UHFFFAOYSA-N
MW427.16 g/mol
LogP7.49
Rot. Bonds6

About 2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline

2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 126184186) has the molecular formula C20H15Cl4NO and a molecular weight of 427.16 g/mol. Its IUPAC name is 2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID126184186
Molecular FormulaC20H15Cl4NO
Molecular Weight427.16 g/mol
Exact Mass424.99
IUPAC Name2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1cccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)c1
InChIInChI=1S/C20H15Cl4NO/c21-15-5-3-4-13(8-15)12-26-20-17(23)9-14(10-18(20)24)11-25-19-7-2-1-6-16(19)22/h1-10,25H,11-12H2
InChIKeyDQUDRCGXVXCGRE-UHFFFAOYSA-N
XLogP7.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.16
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126121101
3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118289
N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126123609
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126126081
2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126190527
1-[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63499190
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline
CID 126121340
4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126189717
N-[[3-bromo-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-chloroaniline
CID 126181103
3-chloro-1-N-[(3-chlorophenyl)methyl]benzene-1,2-diamine
CID 113458621
N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126120263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline (CID 126184186) is 2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline is Clc1cccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)c1.
What is the InChIKey of 2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is DQUDRCGXVXCGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl4NO/c21-15-5-3-4-13(8-15)12-26-20-17(23)9-14(10-18(20)24)11-25-19-7-2-1-6-16(19)22/h1-10,25H,11-12H2.
What are the key properties of 2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline?
2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 427.16 g/mol, XLogP of 7.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 126184186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).