6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine

C16H14FN3O — CID 59242031

IUPAC6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine
SMILESCOc1ccc(N(C)c2nncc3cc(F)ccc23)cc1
InChIInChI=1S/C16H14FN3O/c1-20(13-4-6-14(21-2)7-5-13)16-15-8-3-12(17)9-11(15)10-18-19-16/h3-10H,1-2H3
InChIKeyNCUGFVABPNMJMA-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.55
Rot. Bonds3

About 6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine

6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine (PubChem CID 59242031) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine
PubChem CID59242031
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine
SMILESCOc1ccc(N(C)c2nncc3cc(F)ccc23)cc1
InChIInChI=1S/C16H14FN3O/c1-20(13-4-6-14(21-2)7-5-13)16-15-8-3-12(17)9-11(15)10-18-19-16/h3-10H,1-2H3
InChIKeyNCUGFVABPNMJMA-UHFFFAOYSA-N
XLogP3.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine
CID 59242088
6-methoxyphthalazin-1-amine
CID 130119690
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CID 101074590
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline
CID 63368936
(1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol
CID 78940852
3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 70584896
N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 110455016
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine
CID 46883986
4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine
CID 65337366
5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 103583292

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine?
The IUPAC name of 6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine (CID 59242031) is 6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine.
What is the SMILES notation for 6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine?
The canonical SMILES for 6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine is COc1ccc(N(C)c2nncc3cc(F)ccc23)cc1.
What is the InChIKey of 6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine?
The InChIKey is NCUGFVABPNMJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20(13-4-6-14(21-2)7-5-13)16-15-8-3-12(17)9-11(15)10-18-19-16/h3-10H,1-2H3.
What are the key properties of 6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine?
6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine has a molecular weight of 283.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine is sourced from PubChem (CID 59242031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).