N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

C14H17BrFNO — CID 115410731

IUPACN-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCc1c(CNC(C)(C)C)oc2cc(F)c(Br)cc12
InChIInChI=1S/C14H17BrFNO/c1-8-9-5-10(15)11(16)6-12(9)18-13(8)7-17-14(2,3)4/h5-6,17H,7H2,1-4H3
InChIKeyZLIOLFCOXNXZKA-UHFFFAOYSA-N
MW314.20 g/mol
LogP4.53
Rot. Bonds2

About N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 115410731) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID115410731
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC NameN-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCc1c(CNC(C)(C)C)oc2cc(F)c(Br)cc12
InChIInChI=1S/C14H17BrFNO/c1-8-9-5-10(15)11(16)6-12(9)18-13(8)7-17-14(2,3)4/h5-6,17H,7H2,1-4H3
InChIKeyZLIOLFCOXNXZKA-UHFFFAOYSA-N
XLogP4.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-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-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81048795
N-[(7-bromo-5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048068
N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 104843224
1-[5-bromo-6-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114377601
N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 113459871
N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81041095
N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048503
N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048672
N-[[3-(4-bromo-5-fluoro-2-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451904
N-[[5-bromo-6-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114377589
4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015399
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051342

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (CID 115410731) is N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is Cc1c(CNC(C)(C)C)oc2cc(F)c(Br)cc12.
What is the InChIKey of N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is ZLIOLFCOXNXZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-8-9-5-10(15)11(16)6-12(9)18-13(8)7-17-14(2,3)4/h5-6,17H,7H2,1-4H3.
What are the key properties of N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 314.20 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115410731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).