1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine

C11H14BrF2NO — CID 103207036

IUPAC1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrF2NO/c12-9-3-1-8(2-4-9)10(15)5-6-16-7-11(13)14/h1-4,10-11H,5-7,15H2
InChIKeyKWHCUHBAVWVEDB-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.12
Rot. Bonds6

About 1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine

1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine (PubChem CID 103207036) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine
PubChem CID103207036
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC Name1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrF2NO/c12-9-3-1-8(2-4-9)10(15)5-6-16-7-11(13)14/h1-4,10-11H,5-7,15H2
InChIKeyKWHCUHBAVWVEDB-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-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

3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103149051
3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103148997
1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol
CID 103210074
5-[1-amino-3-(2,2-difluoroethoxy)propyl]-1,3-dihydroindol-2-one
CID 103207060
3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103148910
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
(1S)-1-(4-bromophenyl)-2-(2,2-difluoroethenoxy)ethanamine
CID 95240936
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
4-[1-bromo-3-(2,2-difluoroethoxy)propyl]-1,2-diethoxybenzene
CID 103210882

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine (CID 103207036) is 1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine is NC(CCOCC(F)F)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine?
The InChIKey is KWHCUHBAVWVEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c12-9-3-1-8(2-4-9)10(15)5-6-16-7-11(13)14/h1-4,10-11H,5-7,15H2.
What are the key properties of 1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine?
1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine has a molecular weight of 294.14 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine is sourced from PubChem (CID 103207036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).