N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline

C21H20N2O — CID 169382893

IUPACN-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C21H20N2O/c1-3-9-18(10-4-1)15-16-24-21-14-8-7-11-19(21)17-22-23-20-12-5-2-6-13-20/h1-14,17,23H,15-16H2
InChIKeyPFPQZXCSFAVSIT-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.75
Rot. Bonds7

About N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline

N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline (PubChem CID 169382893) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline
PubChem CID169382893
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C21H20N2O/c1-3-9-18(10-4-1)15-16-24-21-14-8-7-11-19(21)17-22-23-20-12-5-2-6-13-20/h1-14,17,23H,15-16H2
InChIKeyPFPQZXCSFAVSIT-UHFFFAOYSA-N
XLogP4.75
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.75
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-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382695
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 19655678
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383008
4-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
N-[[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382104
4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789686

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline (CID 169382893) is N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline is C(=NNc1ccccc1)c1ccccc1OCCc1ccccc1.
What is the InChIKey of N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline?
The InChIKey is PFPQZXCSFAVSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-3-9-18(10-4-1)15-16-24-21-14-8-7-11-19(21)17-22-23-20-12-5-2-6-13-20/h1-14,17,23H,15-16H2.
What are the key properties of N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline?
N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline has a molecular weight of 316.40 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).