4-(3-chlorophenyl)-2-phenylmethoxyaniline

C19H16ClNO — CID 70107921

IUPAC4-(3-chlorophenyl)-2-phenylmethoxyaniline
SMILESNc1ccc(-c2cccc(Cl)c2)cc1OCc1ccccc1
InChIInChI=1S/C19H16ClNO/c20-17-8-4-7-15(11-17)16-9-10-18(21)19(12-16)22-13-14-5-2-1-3-6-14/h1-12H,13,21H2
InChIKeyAEKKNARNVCRXRC-UHFFFAOYSA-N
MW309.80 g/mol
LogP5.17
Rot. Bonds4

About 4-(3-chlorophenyl)-2-phenylmethoxyaniline

4-(3-chlorophenyl)-2-phenylmethoxyaniline (PubChem CID 70107921) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-phenylmethoxyaniline.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-phenylmethoxyaniline
PubChem CID70107921
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name4-(3-chlorophenyl)-2-phenylmethoxyaniline
SMILESNc1ccc(-c2cccc(Cl)c2)cc1OCc1ccccc1
InChIInChI=1S/C19H16ClNO/c20-17-8-4-7-15(11-17)16-9-10-18(21)19(12-16)22-13-14-5-2-1-3-6-14/h1-12H,13,21H2
InChIKeyAEKKNARNVCRXRC-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

o-Dianisidine hydrochloride
CID 12309823
3,3'-Diethoxybiphenyl-4,4'-diamine
CID 974772
5-Chloro-2-(3-methylphenoxy)aniline
CID 3368159
2-(Benzyloxy)-4-methylaniline
CID 10987611
4-[(3-Chlorophenyl)methoxy]-2-methylaniline
CID 18069645
5-Chloro-2-(2-naphthyloxy)aniline
CID 2337866
5-Chloro-2-(phenylmethoxy)benzenamine
CID 4779097
3,3'-Dipropoxybenzidine
CID 13742163
4,4'-Cyclohexylidenedi-o-anisidine
CID 80411
5-Chloro-2-(2-cyclohexylethoxy)aniline
CID 26189241
3-Methoxy-(1,1'-biphenyl)-4-amine hydrochloride
CID 155973477
2-[(3-Chloro-4-fluorophenyl)methoxy]aniline
CID 103037655

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-phenylmethoxyaniline?
The IUPAC name of 4-(3-chlorophenyl)-2-phenylmethoxyaniline (CID 70107921) is 4-(3-chlorophenyl)-2-phenylmethoxyaniline.
What is the SMILES notation for 4-(3-chlorophenyl)-2-phenylmethoxyaniline?
The canonical SMILES for 4-(3-chlorophenyl)-2-phenylmethoxyaniline is Nc1ccc(-c2cccc(Cl)c2)cc1OCc1ccccc1.
What is the InChIKey of 4-(3-chlorophenyl)-2-phenylmethoxyaniline?
The InChIKey is AEKKNARNVCRXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c20-17-8-4-7-15(11-17)16-9-10-18(21)19(12-16)22-13-14-5-2-1-3-6-14/h1-12H,13,21H2.
What are the key properties of 4-(3-chlorophenyl)-2-phenylmethoxyaniline?
4-(3-chlorophenyl)-2-phenylmethoxyaniline 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 4-(3-chlorophenyl)-2-phenylmethoxyaniline is sourced from PubChem (CID 70107921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).