N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine

C17H16FN3 — CID 114789197

IUPACN-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine
SMILESCc1cc(CNc2ncc3ccccc3n2)cc(C)c1F
InChIInChI=1S/C17H16FN3/c1-11-7-13(8-12(2)16(11)18)9-19-17-20-10-14-5-3-4-6-15(14)21-17/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeyYYMAXKBJYVFQAQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.00
Rot. Bonds3

About N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine

N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine (PubChem CID 114789197) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine
PubChem CID114789197
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine
SMILESCc1cc(CNc2ncc3ccccc3n2)cc(C)c1F
InChIInChI=1S/C17H16FN3/c1-11-7-13(8-12(2)16(11)18)9-19-17-20-10-14-5-3-4-6-15(14)21-17/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeyYYMAXKBJYVFQAQ-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(quinazolin-2-ylamino)methyl]phenol
CID 114789330
N-[(4-aminophenyl)methyl]quinazolin-2-amine
CID 114789553
N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine
CID 167884841
N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
CID 114789025
N-(furan-3-ylmethyl)quinazolin-2-amine
CID 114789324
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826
N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine
CID 114788959
2-[(4-fluoro-3,5-dimethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83180580
N-[(4-nitrophenyl)methyl]quinazolin-2-amine
CID 114788894
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine
CID 83062801

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine (CID 114789197) is N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine is Cc1cc(CNc2ncc3ccccc3n2)cc(C)c1F.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine?
The InChIKey is YYMAXKBJYVFQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-11-7-13(8-12(2)16(11)18)9-19-17-20-10-14-5-3-4-6-15(14)21-17/h3-8,10H,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine?
N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine has a molecular weight of 281.33 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine is sourced from PubChem (CID 114789197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).