N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine

C18H14N2O2 — CID 70582954

IUPACN-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine
SMILESC(=NNc1ccc2ccccc2c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O2/c1-2-4-15-10-16(7-6-14(15)3-1)20-19-11-13-5-8-17-18(9-13)22-12-21-17/h1-11,20H,12H2
InChIKeyRTEUPCGBABIALX-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.01
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine

N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine (PubChem CID 70582954) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine
PubChem CID70582954
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine
SMILESC(=NNc1ccc2ccccc2c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O2/c1-2-4-15-10-16(7-6-14(15)3-1)20-19-11-13-5-8-17-18(9-13)22-12-21-17/h1-11,20H,12H2
InChIKeyRTEUPCGBABIALX-UHFFFAOYSA-N
XLogP4.01
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-1,3-benzodioxole
CID 6902899
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-2-amine
CID 70584569
2-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-N-benzyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 56691085
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410125
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine
CID 6069357
(E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine
CID 10915051
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
CID 6894182
5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine
CID 17019849
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide
CID 5357673
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
2-N,4-N-bis[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 169448282
N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine
CID 4152799

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine (CID 70582954) is N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine is C(=NNc1ccc2ccccc2c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine?
The InChIKey is RTEUPCGBABIALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-2-4-15-10-16(7-6-14(15)3-1)20-19-11-13-5-8-17-18(9-13)22-12-21-17/h1-11,20H,12H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine?
N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine has a molecular weight of 290.32 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine is sourced from PubChem (CID 70582954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).