3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline

C21H19ClN2O — CID 110840263

IUPAC3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCc1ccc(COc2ccccc2C=NNc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H19ClN2O/c1-16-9-11-17(12-10-16)15-25-21-8-3-2-5-18(21)14-23-24-20-7-4-6-19(22)13-20/h2-14,24H,15H2,1H3
InChIKeyNZXKTWHDTDGGPE-UHFFFAOYSA-N
MW350.85 g/mol
LogP5.67
Rot. Bonds6

About 3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline

3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 110840263) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID110840263
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC Name3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCc1ccc(COc2ccccc2C=NNc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H19ClN2O/c1-16-9-11-17(12-10-16)15-25-21-8-3-2-5-18(21)14-23-24-20-7-4-6-19(22)13-20/h2-14,24H,15H2,1H3
InChIKeyNZXKTWHDTDGGPE-UHFFFAOYSA-N
XLogP5.67
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.67
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-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline
CID 110841580
3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline
CID 78597618
3-chloro-N-[[2-(2-methylpropoxy)phenyl]methylideneamino]aniline
CID 110840296
4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110508933
3-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841476
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110339527
3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 19655678
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3668306

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of 3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline (CID 110840263) is 3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline is Cc1ccc(COc2ccccc2C=NNc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is NZXKTWHDTDGGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c1-16-9-11-17(12-10-16)15-25-21-8-3-2-5-18(21)14-23-24-20-7-4-6-19(22)13-20/h2-14,24H,15H2,1H3.
What are the key properties of 3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline has a molecular weight of 350.85 g/mol, XLogP of 5.67, 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-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 110840263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).