N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine

C20H18N2O — CID 110839836

IUPACN-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine
SMILESC(=NNCc1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-3-7-17(8-4-1)15-21-22-16-18-11-13-20(14-12-18)23-19-9-5-2-6-10-19/h1-14,16,21H,15H2
InChIKeyRVRMHJRCESFJHX-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.60
Rot. Bonds6

About N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine

N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine (PubChem CID 110839836) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine
PubChem CID110839836
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine
SMILESC(=NNCc1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-3-7-17(8-4-1)15-21-22-16-18-11-13-20(14-12-18)23-19-9-5-2-6-10-19/h1-14,16,21H,15H2
InChIKeyRVRMHJRCESFJHX-UHFFFAOYSA-N
XLogP4.60
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.60
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)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine
CID 134092995
N-[(4-cyclopentyloxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839835
N-[(4-phenoxyphenyl)methylideneamino]methanamine
CID 110839619
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839719
N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839888
1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine
CID 110839910
N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline
CID 110839639
[(E)-[4-(4-phenoxyphenoxy)phenyl]methylideneamino]urea
CID 10593753
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839693
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839808

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine?
The IUPAC name of N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine (CID 110839836) is N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine is C(=NNCc1ccccc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine?
The InChIKey is RVRMHJRCESFJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-3-7-17(8-4-1)15-21-22-16-18-11-13-20(14-12-18)23-19-9-5-2-6-10-19/h1-14,16,21H,15H2.
What are the key properties of N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine?
N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine has a molecular weight of 302.38 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 110839836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).