N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine

C15H18ClNO2 — CID 106692823

IUPACN-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1ccc(Cl)o1
InChIInChI=1S/C15H18ClNO2/c1-3-17-15(13-8-9-14(16)19-13)11-6-5-7-12(10-11)18-4-2/h5-10,15,17H,3-4H2,1-2H3
InChIKeyILAIANILVSJILW-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.03
Rot. Bonds6

About N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine

N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine (PubChem CID 106692823) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine
PubChem CID106692823
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1ccc(Cl)o1
InChIInChI=1S/C15H18ClNO2/c1-3-17-15(13-8-9-14(16)19-13)11-6-5-7-12(10-11)18-4-2/h5-10,15,17H,3-4H2,1-2H3
InChIKeyILAIANILVSJILW-UHFFFAOYSA-N
XLogP4.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105022297
N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 106691457
N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107968848
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107946517
N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine
CID 106693362
1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106691445
N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 63988191
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155416
N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107985285
N-[phenyl-(3-propoxyphenyl)methyl]ethanamine
CID 62920706

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine (CID 106692823) is N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OCC)c1)c1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine?
The InChIKey is ILAIANILVSJILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-3-17-15(13-8-9-14(16)19-13)11-6-5-7-12(10-11)18-4-2/h5-10,15,17H,3-4H2,1-2H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine?
N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine has a molecular weight of 279.77 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 106692823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).