N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine

C16H14FN3 — CID 69221219

IUPACN-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
SMILESCc1nc(NCc2cccc(F)c2)c2ccccc2n1
InChIInChI=1S/C16H14FN3/c1-11-19-15-8-3-2-7-14(15)16(20-11)18-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,19,20)
InChIKeyOEZJECNIPSVQHV-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.69
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine

N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine (PubChem CID 69221219) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
PubChem CID69221219
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC NameN-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
SMILESCc1nc(NCc2cccc(F)c2)c2ccccc2n1
InChIInChI=1S/C16H14FN3/c1-11-19-15-8-3-2-7-14(15)16(20-11)18-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,19,20)
InChIKeyOEZJECNIPSVQHV-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170000713
4-chloro-6-[(3-fluorophenyl)methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80732223
3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine
CID 102983663
4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 46224524
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 3289360
N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777289
2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine
CID 88886857
2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 61003365
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
CID 47170554
N-benzyl-2-(3-fluorophenyl)-1,6-naphthyridin-5-amine
CID 71618008

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine (CID 69221219) is N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine is Cc1nc(NCc2cccc(F)c2)c2ccccc2n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine?
The InChIKey is OEZJECNIPSVQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-11-19-15-8-3-2-7-14(15)16(20-11)18-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,19,20).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine?
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine has a molecular weight of 267.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine is sourced from PubChem (CID 69221219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).