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

C20H16Cl3NO — CID 23789762

IUPAC3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2)cc1
InChIInChI=1S/C20H16Cl3NO/c21-16-5-1-15(2-6-16)13-25-18-8-3-14(4-9-18)12-24-17-7-10-19(22)20(23)11-17/h1-11,24H,12-13H2
InChIKeyCTLNFZZPADWOOI-UHFFFAOYSA-N
MW392.71 g/mol
LogP6.84
Rot. Bonds6

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

3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 23789762) has the molecular formula C20H16Cl3NO and a molecular weight of 392.71 g/mol. Its IUPAC name is 3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID23789762
Molecular FormulaC20H16Cl3NO
Molecular Weight392.71 g/mol
Exact Mass391.03
IUPAC Name3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2)cc1
InChIInChI=1S/C20H16Cl3NO/c21-16-5-1-15(2-6-16)13-25-18-8-3-14(4-9-18)12-24-17-7-10-19(22)20(23)11-17/h1-11,24H,12-13H2
InChIKeyCTLNFZZPADWOOI-UHFFFAOYSA-N
XLogP6.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.71
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 40603028
3-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 126117644
3,4-dichloro-N-[(4-hexoxyphenyl)methyl]aniline
CID 54796910
4-chloro-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126182001
3,4-dichloro-N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126203927
3-chloro-4-fluoro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 28830718
2-[4-[(4-chloro-3-fluoroanilino)methyl]phenoxy]acetonitrile
CID 43786107
3,4-dichloro-N-[[3-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126211449
2-chloro-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]benzoic acid
CID 17059025
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
CID 4227429
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline (CID 23789762) is 3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline is Clc1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2)cc1.
What is the InChIKey of 3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is CTLNFZZPADWOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3NO/c21-16-5-1-15(2-6-16)13-25-18-8-3-14(4-9-18)12-24-17-7-10-19(22)20(23)11-17/h1-11,24H,12-13H2.
What are the key properties of 3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline?
3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 392.71 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 23789762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).