N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine

C16H14FNO — CID 145426921

IUPACN-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine
SMILESCOc1cccc2c1CC/C2=N\c1cccc(F)c1
InChIInChI=1S/C16H14FNO/c1-19-16-7-3-6-13-14(16)8-9-15(13)18-12-5-2-4-11(17)10-12/h2-7,10H,8-9H2,1H3/b18-15+
InChIKeyWTDYUSUDRFZNFY-OBGWFSINSA-N
MW255.29 g/mol
LogP3.90
Rot. Bonds2

About N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine

N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine (PubChem CID 145426921) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine
PubChem CID145426921
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC NameN-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine
SMILESCOc1cccc2c1CC/C2=N\c1cccc(F)c1
InChIInChI=1S/C16H14FNO/c1-19-16-7-3-6-13-14(16)8-9-15(13)18-12-5-2-4-11(17)10-12/h2-7,10H,8-9H2,1H3/b18-15+
InChIKeyWTDYUSUDRFZNFY-OBGWFSINSA-N
XLogP3.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine 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

2-fluoro-5-methoxy-10H-anthracen-9-one
CID 171849218
methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 102446417
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54275814
2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid
CID 105497474
amino-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]methanethiol
CID 163502816
(5-methoxy-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane
CID 11770788
1-(2,5-difluorophenyl)-2,3-dimethoxybenzene
CID 165476912
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole
CID 84737135
N-(3-chlorophenyl)-2,3-dihydroinden-1-imine
CID 145427056
2-(2,5-difluorophenyl)-6-methoxyphenol
CID 83129806

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine?
The IUPAC name of N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine (CID 145426921) is N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine.
What is the SMILES notation for N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine?
The canonical SMILES for N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine is COc1cccc2c1CC/C2=N\c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine?
The InChIKey is WTDYUSUDRFZNFY-OBGWFSINSA-N. The full InChI is InChI=1S/C16H14FNO/c1-19-16-7-3-6-13-14(16)8-9-15(13)18-12-5-2-4-11(17)10-12/h2-7,10H,8-9H2,1H3/b18-15+.
What are the key properties of N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine?
N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine has a molecular weight of 255.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine is sourced from PubChem (CID 145426921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).