1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine

C15H18ClNO2 — CID 62498910

IUPAC1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc(OC)ccc2Cl)o1
InChIInChI=1S/C15H18ClNO2/c1-4-17-10(2)14-7-8-15(19-14)12-9-11(18-3)5-6-13(12)16/h5-10,17H,4H2,1-3H3
InChIKeyFRGPFKRXTCICDK-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.28
Rot. Bonds5

About 1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine

1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine (PubChem CID 62498910) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine
PubChem CID62498910
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc(OC)ccc2Cl)o1
InChIInChI=1S/C15H18ClNO2/c1-4-17-10(2)14-7-8-15(19-14)12-9-11(18-3)5-6-13(12)16/h5-10,17H,4H2,1-3H3
InChIKeyFRGPFKRXTCICDK-UHFFFAOYSA-N
XLogP4.28
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-chlorophenyl)furan-2-yl]-N-ethylethanamine
CID 62499057
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine
CID 107577103
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398591
1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 55083630
1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine
CID 62500358
N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine
CID 62499724
1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65439591
N-[1-[5-(2-chloro-4-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398504
N-ethyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 24708514
1-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65181194
N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 63400734
N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398850

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine (CID 62498910) is 1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine is CCNC(C)c1ccc(-c2cc(OC)ccc2Cl)o1.
What is the InChIKey of 1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine?
The InChIKey is FRGPFKRXTCICDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-4-17-10(2)14-7-8-15(19-14)12-9-11(18-3)5-6-13(12)16/h5-10,17H,4H2,1-3H3.
What are the key properties of 1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine?
1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine has a molecular weight of 279.77 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine is sourced from PubChem (CID 62498910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).