1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine

C16H19ClFNO — CID 103053051

IUPAC1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
SMILESCCNC(CCc1ccco1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H19ClFNO/c1-2-19-14(6-7-15-4-3-9-20-15)11-12-10-13(17)5-8-16(12)18/h3-5,8-10,14,19H,2,6-7,11H2,1H3
InChIKeyIPIAKWBMPLMJDY-UHFFFAOYSA-N
MW295.78 g/mol
LogP4.23
Rot. Bonds7

About 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine

1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine (PubChem CID 103053051) has the molecular formula C16H19ClFNO and a molecular weight of 295.78 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
PubChem CID103053051
Molecular FormulaC16H19ClFNO
Molecular Weight295.78 g/mol
Exact Mass295.11
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
SMILESCCNC(CCc1ccco1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H19ClFNO/c1-2-19-14(6-7-15-4-3-9-20-15)11-12-10-13(17)5-8-16(12)18/h3-5,8-10,14,19H,2,6-7,11H2,1H3
InChIKeyIPIAKWBMPLMJDY-UHFFFAOYSA-N
XLogP4.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 103053057
N-ethyl-4-(furan-2-yl)-1-phenylbutan-2-amine
CID 61064729
[1-(2,5-difluorophenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105288848
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 103053170
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 103048614
1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105116408
N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine
CID 61065495
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine
CID 103052938
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 103048515
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105397390
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105158512

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine (CID 103053051) is 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine is CCNC(CCc1ccco1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
The InChIKey is IPIAKWBMPLMJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO/c1-2-19-14(6-7-15-4-3-9-20-15)11-12-10-13(17)5-8-16(12)18/h3-5,8-10,14,19H,2,6-7,11H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine has a molecular weight of 295.78 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 103053051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).