N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline

C14H14BrF2NO3 — CID 104652591

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline
SMILESCOc1ccc(NC(C)c2ccc(Br)o2)cc1OC(F)F
InChIInChI=1S/C14H14BrF2NO3/c1-8(10-5-6-13(15)20-10)18-9-3-4-11(19-2)12(7-9)21-14(16)17/h3-8,14,18H,1-2H3
InChIKeyPBZBNJWRDUUWOX-UHFFFAOYSA-N
MW362.17 g/mol
LogP4.83
Rot. Bonds6

About N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline

N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline (PubChem CID 104652591) has the molecular formula C14H14BrF2NO3 and a molecular weight of 362.17 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline
PubChem CID104652591
Molecular FormulaC14H14BrF2NO3
Molecular Weight362.17 g/mol
Exact Mass361.01
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline
SMILESCOc1ccc(NC(C)c2ccc(Br)o2)cc1OC(F)F
InChIInChI=1S/C14H14BrF2NO3/c1-8(10-5-6-13(15)20-10)18-9-3-4-11(19-2)12(7-9)21-14(16)17/h3-8,14,18H,1-2H3
InChIKeyPBZBNJWRDUUWOX-UHFFFAOYSA-N
XLogP4.83
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline 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

N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-4-methoxyaniline
CID 104652255
methyl 2-[3-(difluoromethoxy)-4-methoxyanilino]propanoate
CID 66174525
3-(difluoromethoxy)-N-(1-ethylsulfonylpropan-2-yl)-4-methoxyaniline
CID 115917397
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
CID 24652292
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
CID 134039312
4-[1-(5-bromofuran-2-yl)ethylamino]phenol
CID 104652665
N-(3,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652283
3-(difluoromethoxy)-4-methoxy-N-(2-methylbutyl)aniline
CID 43731307
5-[1-(5-bromofuran-2-yl)ethylamino]-2-chlorobenzamide
CID 104652478
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652338

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline (CID 104652591) is N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline is COc1ccc(NC(C)c2ccc(Br)o2)cc1OC(F)F.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline?
The InChIKey is PBZBNJWRDUUWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NO3/c1-8(10-5-6-13(15)20-10)18-9-3-4-11(19-2)12(7-9)21-14(16)17/h3-8,14,18H,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline?
N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline has a molecular weight of 362.17 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline is sourced from PubChem (CID 104652591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).