2-(3-chloro-4-phenylmethoxyphenyl)aniline

C19H16ClNO — CID 145161607

IUPAC2-(3-chloro-4-phenylmethoxyphenyl)aniline
SMILESNc1ccccc1-c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C19H16ClNO/c20-17-12-15(16-8-4-5-9-18(16)21)10-11-19(17)22-13-14-6-2-1-3-7-14/h1-12H,13,21H2
InChIKeyJEAAJGIUJSHSQG-UHFFFAOYSA-N
MW309.80 g/mol
LogP5.17
Rot. Bonds4

About 2-(3-chloro-4-phenylmethoxyphenyl)aniline

2-(3-chloro-4-phenylmethoxyphenyl)aniline (PubChem CID 145161607) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(3-chloro-4-phenylmethoxyphenyl)aniline.

Molecular Properties

Compound Name2-(3-chloro-4-phenylmethoxyphenyl)aniline
PubChem CID145161607
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name2-(3-chloro-4-phenylmethoxyphenyl)aniline
SMILESNc1ccccc1-c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C19H16ClNO/c20-17-12-15(16-8-4-5-9-18(16)21)10-11-19(17)22-13-14-6-2-1-3-7-14/h1-12H,13,21H2
InChIKeyJEAAJGIUJSHSQG-UHFFFAOYSA-N
XLogP5.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.80
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3829147
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
4-(2-fluorophenyl)-2-phenylmethoxyaniline
CID 171921752
2-chloro-5-(2-phenylmethoxyphenyl)phenol
CID 53221551
1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894576
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
2-(2-aminophenyl)-3-phenylmethoxyaniline
CID 68789108
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998
1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine
CID 82550716
2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole
CID 110537978
3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole
CID 58913514
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)aniline?
The IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)aniline (CID 145161607) is 2-(3-chloro-4-phenylmethoxyphenyl)aniline.
What is the SMILES notation for 2-(3-chloro-4-phenylmethoxyphenyl)aniline?
The canonical SMILES for 2-(3-chloro-4-phenylmethoxyphenyl)aniline is Nc1ccccc1-c1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-phenylmethoxyphenyl)aniline?
The InChIKey is JEAAJGIUJSHSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c20-17-12-15(16-8-4-5-9-18(16)21)10-11-19(17)22-13-14-6-2-1-3-7-14/h1-12H,13,21H2.
What are the key properties of 2-(3-chloro-4-phenylmethoxyphenyl)aniline?
2-(3-chloro-4-phenylmethoxyphenyl)aniline has a molecular weight of 309.80 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-phenylmethoxyphenyl)aniline is sourced from PubChem (CID 145161607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).