(1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine

C20H18FN3O — CID 99813699

IUPAC(1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(Oc2ccc(N[C@H]3CCc4ccc(F)cc43)cc2)nn1
InChIInChI=1S/C20H18FN3O/c1-13-2-11-20(24-23-13)25-17-8-6-16(7-9-17)22-19-10-4-14-3-5-15(21)12-18(14)19/h2-3,5-9,11-12,19,22H,4,10H2,1H3/t19-/m0/s1
InChIKeyYDSULEVQZUVURV-IBGZPJMESA-N
MW335.38 g/mol
LogP4.82
Rot. Bonds4

About (1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine

(1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 99813699) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is (1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID99813699
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name(1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(Oc2ccc(N[C@H]3CCc4ccc(F)cc43)cc2)nn1
InChIInChI=1S/C20H18FN3O/c1-13-2-11-20(24-23-13)25-17-8-6-16(7-9-17)22-19-10-4-14-3-5-15(21)12-18(14)19/h2-3,5-9,11-12,19,22H,4,10H2,1H3/t19-/m0/s1
InChIKeyYDSULEVQZUVURV-IBGZPJMESA-N
XLogP4.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine (CID 99813699) is (1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine is Cc1ccc(Oc2ccc(N[C@H]3CCc4ccc(F)cc43)cc2)nn1.
What is the InChIKey of (1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YDSULEVQZUVURV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13-2-11-20(24-23-13)25-17-8-6-16(7-9-17)22-19-10-4-14-3-5-15(21)12-18(14)19/h2-3,5-9,11-12,19,22H,4,10H2,1H3/t19-/m0/s1.
What are the key properties of (1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine?
(1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 335.38 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 99813699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).