1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine

C14H15ClFNO — CID 105029261

IUPAC1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)c1cccc(F)c1Cl
InChIInChI=1S/C14H15ClFNO/c1-2-17-13(9-10-5-4-8-18-10)11-6-3-7-12(16)14(11)15/h3-8,13,17H,2,9H2,1H3
InChIKeyXNQKREWDZHVJAV-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.97
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine

1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine (PubChem CID 105029261) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
PubChem CID105029261
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)c1cccc(F)c1Cl
InChIInChI=1S/C14H15ClFNO/c1-2-17-13(9-10-5-4-8-18-10)11-6-3-7-12(16)14(11)15/h3-8,13,17H,2,9H2,1H3
InChIKeyXNQKREWDZHVJAV-UHFFFAOYSA-N
XLogP3.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 83176044
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 81453728
N-ethyl-1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105119317
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 81454386
1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959
N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81454359
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanamine
CID 83178417
N-ethyl-2-(furan-2-yl)-1-(4-methylthiophen-3-yl)ethanamine
CID 83182960
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933
N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107103017
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine (CID 105029261) is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine is CCNC(Cc1ccco1)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The InChIKey is XNQKREWDZHVJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-2-17-13(9-10-5-4-8-18-10)11-6-3-7-12(16)14(11)15/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine has a molecular weight of 267.73 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 105029261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).