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

C14H15ClFNO — CID 83176044

IUPAC1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)c1cccc(Cl)c1F
InChIInChI=1S/C14H15ClFNO/c1-2-17-13(9-10-5-4-8-18-10)11-6-3-7-12(15)14(11)16/h3-8,13,17H,2,9H2,1H3
InChIKeyNSJQSGGSVVYYPE-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.97
Rot. Bonds5

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

1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine (PubChem CID 83176044) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
PubChem CID83176044
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)c1cccc(Cl)c1F
InChIInChI=1S/C14H15ClFNO/c1-2-17-13(9-10-5-4-8-18-10)11-6-3-7-12(15)14(11)16/h3-8,13,17H,2,9H2,1H3
InChIKeyNSJQSGGSVVYYPE-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-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029261
N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107103017
1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107884748
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 64714713
1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64712462
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
N-[1-(3-chloro-2-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176143
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878097
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 64714865
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 107103801

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine (CID 83176044) is 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine is CCNC(Cc1ccco1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The InChIKey is NSJQSGGSVVYYPE-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(15)14(11)16/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
1-(3-chloro-2-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-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 83176044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).