2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine

C14H15ClFNO — CID 103039972

IUPAC2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)c1ccco1
InChIInChI=1S/C14H15ClFNO/c1-2-17-13(14-4-3-7-18-14)9-10-5-6-12(16)11(15)8-10/h3-8,13,17H,2,9H2,1H3
InChIKeyFMSKQIPQKLCQPM-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.97
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine

2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine (PubChem CID 103039972) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
PubChem CID103039972
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)c1ccco1
InChIInChI=1S/C14H15ClFNO/c1-2-17-13(14-4-3-7-18-14)9-10-5-6-12(16)11(15)8-10/h3-8,13,17H,2,9H2,1H3
InChIKeyFMSKQIPQKLCQPM-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

2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 107884660
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 103040265
2-(2,5-dichlorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 65321381
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 103040362
(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 99850577
1-(5-bromothiophen-3-yl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103042985
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103040125
N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 103048611
1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106687925
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103043281
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374612
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 103043506

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine (CID 103039972) is 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine is CCNC(Cc1ccc(F)c(Cl)c1)c1ccco1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine?
The InChIKey is FMSKQIPQKLCQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-2-17-13(14-4-3-7-18-14)9-10-5-6-12(16)11(15)8-10/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine?
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(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 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 103039972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).