N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine

C15H11BrFN3 — CID 114788959

IUPACN-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine
SMILESFc1ccc(Br)cc1CNc1ncc2ccccc2n1
InChIInChI=1S/C15H11BrFN3/c16-12-5-6-13(17)11(7-12)9-19-15-18-8-10-3-1-2-4-14(10)20-15/h1-8H,9H2,(H,18,19,20)
InChIKeyMPXSYCUZGLDQNS-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.14
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine

N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine (PubChem CID 114788959) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine
PubChem CID114788959
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine
SMILESFc1ccc(Br)cc1CNc1ncc2ccccc2n1
InChIInChI=1S/C15H11BrFN3/c16-12-5-6-13(17)11(7-12)9-19-15-18-8-10-3-1-2-4-14(10)20-15/h1-8H,9H2,(H,18,19,20)
InChIKeyMPXSYCUZGLDQNS-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine 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

2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 116795672
N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
CID 47184777
N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 106194284
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine
CID 114789197
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline
CID 70828404
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826
N-[(5-bromo-2-fluorophenyl)methyl]isoquinolin-5-amine
CID 43681278
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
CID 103702616
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
4-[(quinazolin-2-ylamino)methyl]phenol
CID 114789330

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine (CID 114788959) is N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine is Fc1ccc(Br)cc1CNc1ncc2ccccc2n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine?
The InChIKey is MPXSYCUZGLDQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-12-5-6-13(17)11(7-12)9-19-15-18-8-10-3-1-2-4-14(10)20-15/h1-8H,9H2,(H,18,19,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine has a molecular weight of 332.18 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine is sourced from PubChem (CID 114788959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).