N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine

C18H26FN3 — CID 121313718

IUPACN-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine
SMILESCC1=C(N[C@@H](C)c2ccc(F)cc2C)NNC(C(C)C)=C1C
InChIInChI=1S/C18H26FN3/c1-10(2)17-12(4)13(5)18(22-21-17)20-14(6)16-8-7-15(19)9-11(16)3/h7-10,14,20-22H,1-6H3/t14-/m0/s1
InChIKeyUGBRRQANFJSKRO-AWEZNQCLSA-N
MW303.43 g/mol
LogP4.05
Rot. Bonds4

About N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine

N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine (PubChem CID 121313718) has the molecular formula C18H26FN3 and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine
PubChem CID121313718
Molecular FormulaC18H26FN3
Molecular Weight303.43 g/mol
Exact Mass303.21
IUPAC NameN-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine
SMILESCC1=C(N[C@@H](C)c2ccc(F)cc2C)NNC(C(C)C)=C1C
InChIInChI=1S/C18H26FN3/c1-10(2)17-12(4)13(5)18(22-21-17)20-14(6)16-8-7-15(19)9-11(16)3/h7-10,14,20-22H,1-6H3/t14-/m0/s1
InChIKeyUGBRRQANFJSKRO-AWEZNQCLSA-N
XLogP4.05
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine?
The IUPAC name of N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine (CID 121313718) is N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine.
What is the SMILES notation for N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine?
The canonical SMILES for N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine is CC1=C(N[C@@H](C)c2ccc(F)cc2C)NNC(C(C)C)=C1C.
What is the InChIKey of N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine?
The InChIKey is UGBRRQANFJSKRO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26FN3/c1-10(2)17-12(4)13(5)18(22-21-17)20-14(6)16-8-7-15(19)9-11(16)3/h7-10,14,20-22H,1-6H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine?
N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine has a molecular weight of 303.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-4,5-dimethyl-6-propan-2-yl-1,2-dihydropyridazin-3-amine is sourced from PubChem (CID 121313718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).