N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine

C15H18BrNO — CID 55104076

IUPACN-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1ccco1
InChIInChI=1S/C15H18BrNO/c1-2-9-17-14(15-8-5-10-18-15)11-12-6-3-4-7-13(12)16/h3-8,10,14,17H,2,9,11H2,1H3
InChIKeyMXZHLLBHADGZEM-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.33
Rot. Bonds6

About N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine

N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 55104076) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
PubChem CID55104076
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1ccco1
InChIInChI=1S/C15H18BrNO/c1-2-9-17-14(15-8-5-10-18-15)11-12-6-3-4-7-13(12)16/h3-8,10,14,17H,2,9,11H2,1H3
InChIKeyMXZHLLBHADGZEM-UHFFFAOYSA-N
XLogP4.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]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

N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 62699285
N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817936
N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 103048611
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine
CID 107504146
N-[2-(2-chloro-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 102618825
N-[2-(3-bromo-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 79709374
N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63944020
N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 60819665
N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
CID 115567839
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079126

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine (CID 55104076) is N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Br)c1ccco1.
What is the InChIKey of N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is MXZHLLBHADGZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-2-9-17-14(15-8-5-10-18-15)11-12-6-3-4-7-13(12)16/h3-8,10,14,17H,2,9,11H2,1H3.
What are the key properties of N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine?
N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 55104076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).