N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine

C15H17ClFNO — CID 81265394

IUPACN-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)o1)c1cccc(Cl)c1F
InChIInChI=1S/C15H17ClFNO/c1-3-10-8-9-13(19-10)15(18-4-2)11-6-5-7-12(16)14(11)17/h5-9,15,18H,3-4H2,1-2H3
InChIKeyNQZQAVOTUAZUII-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.33
Rot. Bonds5

About N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine

N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine (PubChem CID 81265394) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
PubChem CID81265394
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC NameN-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)o1)c1cccc(Cl)c1F
InChIInChI=1S/C15H17ClFNO/c1-3-10-8-9-13(19-10)15(18-4-2)11-6-5-7-12(16)14(11)17/h5-9,15,18H,3-4H2,1-2H3
InChIKeyNQZQAVOTUAZUII-UHFFFAOYSA-N
XLogP4.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 64712464
N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 64714724
N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346781
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
N-[(4-chloro-2,5-dimethylphenyl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 81267229
N-[(3-chloro-2-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878168
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 81267028
N-[(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 105399020
N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
CID 55061507
2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
CID 102867290
N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 81454466
N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 64712795

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine (CID 81265394) is N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(CC)o1)c1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The InChIKey is NQZQAVOTUAZUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO/c1-3-10-8-9-13(19-10)15(18-4-2)11-6-5-7-12(16)14(11)17/h5-9,15,18H,3-4H2,1-2H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine has a molecular weight of 281.76 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 81265394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).