N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine

C15H18ClNO — CID 106684213

IUPACN-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1ccc(Cl)o1
InChIInChI=1S/C15H18ClNO/c1-3-11-5-7-12(8-6-11)15(17-4-2)13-9-10-14(16)18-13/h5-10,15,17H,3-4H2,1-2H3
InChIKeyOFIDAULYUXMOEO-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.19
Rot. Bonds5

About N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine

N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine (PubChem CID 106684213) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine
PubChem CID106684213
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1ccc(Cl)o1
InChIInChI=1S/C15H18ClNO/c1-3-11-5-7-12(8-6-11)15(17-4-2)13-9-10-14(16)18-13/h5-10,15,17H,3-4H2,1-2H3
InChIKeyOFIDAULYUXMOEO-UHFFFAOYSA-N
XLogP4.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
N-[(5-chlorofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 106692001
N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346781
N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 106691457
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 79094480
N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 106691547
N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 106692823
N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine
CID 81291306
N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
CID 55061507
(5-chlorofuran-2-yl)-(4-propylphenyl)methanol
CID 106688844
N-[1-(5-chlorofuran-2-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 106691522

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine (CID 106684213) is N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine is CCNC(c1ccc(CC)cc1)c1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine?
The InChIKey is OFIDAULYUXMOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-3-11-5-7-12(8-6-11)15(17-4-2)13-9-10-14(16)18-13/h5-10,15,17H,3-4H2,1-2H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine?
N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine has a molecular weight of 263.77 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106684213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).