N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine

C15H18ClNO — CID 62346781

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

About N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine

N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine (PubChem CID 62346781) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
PubChem CID62346781
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccc(CC)o1
InChIInChI=1S/C15H18ClNO/c1-3-13-9-10-14(18-13)15(17-4-2)11-5-7-12(16)8-6-11/h5-10,15,17H,3-4H2,1-2H3
InChIKeyWVSGXMXKTUZWPV-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-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
CID 55061507
N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 79094480
N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine
CID 106684213
N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 81265394
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 63731632
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346595
N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815972
N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63210049
N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 114249078
N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62346589
N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43492781
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine (CID 62346781) is N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1ccc(CC)o1.
What is the InChIKey of N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The InChIKey is WVSGXMXKTUZWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-3-13-9-10-14(18-13)15(17-4-2)11-5-7-12(16)8-6-11/h5-10,15,17H,3-4H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)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-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 62346781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).