3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline

C20H17ClN2O — CID 78597661

IUPAC3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
SMILESClc1cccc(NN=Cc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C20H17ClN2O/c21-18-10-6-11-19(13-18)23-22-14-17-9-4-5-12-20(17)24-15-16-7-2-1-3-8-16/h1-14,23H,15H2
InChIKeyJIEJCTTYXCMJDY-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.36
Rot. Bonds6

About 3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline

3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline (PubChem CID 78597661) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
PubChem CID78597661
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
SMILESClc1cccc(NN=Cc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C20H17ClN2O/c21-18-10-6-11-19(13-18)23-22-14-17-9-4-5-12-20(17)24-15-16-7-2-1-3-8-16/h1-14,23H,15H2
InChIKeyJIEJCTTYXCMJDY-UHFFFAOYSA-N
XLogP5.36
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.36
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

3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840263
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 19655678
3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline
CID 78597618
3-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841476
3-chloro-N-[[2-(2-methylpropoxy)phenyl]methylideneamino]aniline
CID 110840296
N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110339527
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3668306
N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382695
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6876815

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline?
The IUPAC name of 3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline (CID 78597661) is 3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline is Clc1cccc(NN=Cc2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline?
The InChIKey is JIEJCTTYXCMJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-18-10-6-11-19(13-18)23-22-14-17-9-4-5-12-20(17)24-15-16-7-2-1-3-8-16/h1-14,23H,15H2.
What are the key properties of 3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline?
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline has a molecular weight of 336.82 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 78597661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).