N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine

C14H15BrClNO — CID 113437463

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
SMILESCC(NC(C)c1ccccc1Cl)c1ccc(Br)o1
InChIInChI=1S/C14H15BrClNO/c1-9(11-5-3-4-6-12(11)16)17-10(2)13-7-8-14(15)18-13/h3-10,17H,1-2H3
InChIKeyCSJFQYFUZJDJNO-UHFFFAOYSA-N
MW328.64 g/mol
LogP5.11
Rot. Bonds4

About N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine

N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine (PubChem CID 113437463) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
PubChem CID113437463
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
SMILESCC(NC(C)c1ccccc1Cl)c1ccc(Br)o1
InChIInChI=1S/C14H15BrClNO/c1-9(11-5-3-4-6-12(11)16)17-10(2)13-7-8-14(15)18-13/h3-10,17H,1-2H3
InChIKeyCSJFQYFUZJDJNO-UHFFFAOYSA-N
XLogP5.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.64
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine 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]-1-(2-methylphenyl)ethanamine
CID 104652135
N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline
CID 104653070
N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine
CID 104652134
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107096586
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440
1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 103893469
1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81264965
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 81377416
1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398285
(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81377853

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine (CID 113437463) is N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine is CC(NC(C)c1ccccc1Cl)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine?
The InChIKey is CSJFQYFUZJDJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c1-9(11-5-3-4-6-12(11)16)17-10(2)13-7-8-14(15)18-13/h3-10,17H,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine?
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine has a molecular weight of 328.64 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 113437463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).