3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline

C19H15ClN2O — CID 78597614

IUPAC3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
SMILESClc1cccc(NN=Cc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C19H15ClN2O/c20-16-7-5-8-17(13-16)22-21-14-15-6-4-11-19(12-15)23-18-9-2-1-3-10-18/h1-14,22H
InChIKeyIBHFBAJBXWNLBX-UHFFFAOYSA-N
MW322.80 g/mol
LogP5.58
Rot. Bonds5

About 3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline

3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline (PubChem CID 78597614) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
PubChem CID78597614
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
SMILESClc1cccc(NN=Cc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C19H15ClN2O/c20-16-7-5-8-17(13-16)22-21-14-15-6-4-11-19(12-15)23-18-9-2-1-3-10-18/h1-14,22H
InChIKeyIBHFBAJBXWNLBX-UHFFFAOYSA-N
XLogP5.58
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.80
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 4675648
4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride
CID 73242918
3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine
CID 3929502
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135730470
4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline
CID 6039308
2-N-[(3-chlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092796
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615
N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline
CID 169383529

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline?
The IUPAC name of 3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline (CID 78597614) is 3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline is Clc1cccc(NN=Cc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline?
The InChIKey is IBHFBAJBXWNLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-16-7-5-8-17(13-16)22-21-14-15-6-4-11-19(12-15)23-18-9-2-1-3-10-18/h1-14,22H.
What are the key properties of 3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline?
3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline has a molecular weight of 322.80 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 78597614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).