N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine

C15H17ClFNO — CID 43783176

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFNO/c1-10(8-13-4-3-7-19-13)18-11(2)14-6-5-12(17)9-15(14)16/h3-7,9-11,18H,8H2,1-2H3
InChIKeyITFSSOWSUSPASY-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.35
Rot. Bonds5

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine (PubChem CID 43783176) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
PubChem CID43783176
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFNO/c1-10(8-13-4-3-7-19-13)18-11(2)14-6-5-12(17)9-15(14)16/h3-7,9-11,18H,8H2,1-2H3
InChIKeyITFSSOWSUSPASY-UHFFFAOYSA-N
XLogP4.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43693054
N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 103924689
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43758401
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
CID 63099917
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779498
2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
CID 43771126
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 43767407
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43768143

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine (CID 43783176) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine is CC(Cc1ccco1)NC(C)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine?
The InChIKey is ITFSSOWSUSPASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO/c1-10(8-13-4-3-7-19-13)18-11(2)14-6-5-12(17)9-15(14)16/h3-7,9-11,18H,8H2,1-2H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine has a molecular weight of 281.76 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 43783176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).