6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine

C19H18BrF2N3 — CID 166541195

IUPAC6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)F)c2C)c2cc(Br)ccc2n1
InChIInChI=1S/C19H18BrF2N3/c1-10-14(5-4-6-15(10)18(21)22)11(2)23-19-16-9-13(20)7-8-17(16)24-12(3)25-19/h4-9,11,18H,1-3H3,(H,23,24,25)/t11-/m1/s1
InChIKeySZIPHEIXLJNNJZ-LLVKDONJSA-N
MW406.27 g/mol
LogP6.12
Rot. Bonds4

About 6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine

6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine (PubChem CID 166541195) has the molecular formula C19H18BrF2N3 and a molecular weight of 406.27 g/mol. Its IUPAC name is 6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine
PubChem CID166541195
Molecular FormulaC19H18BrF2N3
Molecular Weight406.27 g/mol
Exact Mass405.07
IUPAC Name6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)F)c2C)c2cc(Br)ccc2n1
InChIInChI=1S/C19H18BrF2N3/c1-10-14(5-4-6-15(10)18(21)22)11(2)23-19-16-9-13(20)7-8-17(16)24-12(3)25-19/h4-9,11,18H,1-3H3,(H,23,24,25)/t11-/m1/s1
InChIKeySZIPHEIXLJNNJZ-LLVKDONJSA-N
XLogP6.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.27
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine?
The IUPAC name of 6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine (CID 166541195) is 6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine is Cc1nc(N[C@H](C)c2cccc(C(F)F)c2C)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine?
The InChIKey is SZIPHEIXLJNNJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18BrF2N3/c1-10-14(5-4-6-15(10)18(21)22)11(2)23-19-16-9-13(20)7-8-17(16)24-12(3)25-19/h4-9,11,18H,1-3H3,(H,23,24,25)/t11-/m1/s1.
What are the key properties of 6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine?
6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine has a molecular weight of 406.27 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine is sourced from PubChem (CID 166541195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).