[3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine

C16H14FN3O — CID 107667286

IUPAC[3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine
SMILESCc1nnc(Oc2ccc(CN)cc2F)c2ccccc12
InChIInChI=1S/C16H14FN3O/c1-10-12-4-2-3-5-13(12)16(20-19-10)21-15-7-6-11(9-18)8-14(15)17/h2-8H,9,18H2,1H3
InChIKeyVFOXYSYUVYVOAG-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.33
Rot. Bonds3

About [3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine

[3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine (PubChem CID 107667286) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is [3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine
PubChem CID107667286
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name[3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine
SMILESCc1nnc(Oc2ccc(CN)cc2F)c2ccccc12
InChIInChI=1S/C16H14FN3O/c1-10-12-4-2-3-5-13(12)16(20-19-10)21-15-7-6-11(9-18)8-14(15)17/h2-8H,9,18H2,1H3
InChIKeyVFOXYSYUVYVOAG-UHFFFAOYSA-N
XLogP3.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine 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

(4-cinnolin-4-yloxy-3-fluorophenyl)methanamine
CID 107667255
[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
CID 28966043
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
1-(3-fluorophenoxy)-4-methylphthalazine
CID 20971235
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
1-(2-iodophenoxy)-4-methylphthalazine
CID 60965908
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one
CID 107667208
3-fluoro-4-phthalazin-1-yloxyaniline
CID 43517076
[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 107667192
[3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine
CID 63077891
[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61227389

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine?
The IUPAC name of [3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine (CID 107667286) is [3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine is Cc1nnc(Oc2ccc(CN)cc2F)c2ccccc12.
What is the InChIKey of [3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine?
The InChIKey is VFOXYSYUVYVOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-12-4-2-3-5-13(12)16(20-19-10)21-15-7-6-11(9-18)8-14(15)17/h2-8H,9,18H2,1H3.
What are the key properties of [3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine?
[3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine has a molecular weight of 283.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine is sourced from PubChem (CID 107667286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).