3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline

C19H15Cl3N2O — CID 155539893

IUPAC3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline
SMILESNc1cccc(Cl)c1Oc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H15Cl3N2O/c20-13-8-14(21)10-15(9-13)24-11-12-4-6-16(7-5-12)25-19-17(22)2-1-3-18(19)23/h1-10,24H,11,23H2
InChIKeyHJUQVDXAHGERHX-UHFFFAOYSA-N
MW393.70 g/mol
LogP6.63
Rot. Bonds5

About 3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline

3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline (PubChem CID 155539893) has the molecular formula C19H15Cl3N2O and a molecular weight of 393.70 g/mol. Its IUPAC name is 3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline.

Molecular Properties

Compound Name3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline
PubChem CID155539893
Molecular FormulaC19H15Cl3N2O
Molecular Weight393.70 g/mol
Exact Mass392.02
IUPAC Name3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline
SMILESNc1cccc(Cl)c1Oc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H15Cl3N2O/c20-13-8-14(21)10-15(9-13)24-11-12-4-6-16(7-5-12)25-19-17(22)2-1-3-18(19)23/h1-10,24H,11,23H2
InChIKeyHJUQVDXAHGERHX-UHFFFAOYSA-N
XLogP6.63
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[4-[(3-chloroanilino)methyl]phenoxy]aniline
CID 155545085
3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol
CID 155556671
2-(4-butylphenoxy)-3-chloroaniline
CID 115492204
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
3-chloro-2-(4-iodophenoxy)aniline
CID 43144713
3,5-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 28548817
3,5-dichloro-N-[[4-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54796924
3-chloro-2-(3,5-dimethylphenoxy)aniline
CID 26189205
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
3-chloro-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538574
3,5-dichloro-N-(pyridin-4-ylmethyl)aniline
CID 964331
3-chloro-2-(2,5-dichlorophenoxy)aniline
CID 29030363

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline?
The IUPAC name of 3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline (CID 155539893) is 3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline.
What is the SMILES notation for 3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline?
The canonical SMILES for 3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline is Nc1cccc(Cl)c1Oc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline?
The InChIKey is HJUQVDXAHGERHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O/c20-13-8-14(21)10-15(9-13)24-11-12-4-6-16(7-5-12)25-19-17(22)2-1-3-18(19)23/h1-10,24H,11,23H2.
What are the key properties of 3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline?
3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline has a molecular weight of 393.70 g/mol, XLogP of 6.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline is sourced from PubChem (CID 155539893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).