1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol

C15H17ClFNO2 — CID 65189777

IUPAC1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol
SMILESNCC(c1ccc(F)cc1Cl)C(O)CCc1ccco1
InChIInChI=1S/C15H17ClFNO2/c16-14-8-10(17)3-5-12(14)13(9-18)15(19)6-4-11-2-1-7-20-11/h1-3,5,7-8,13,15,19H,4,6,9,18H2
InChIKeyMCXSIXFHVQAANZ-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.11
Rot. Bonds6

About 1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol

1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol (PubChem CID 65189777) has the molecular formula C15H17ClFNO2 and a molecular weight of 297.76 g/mol. Its IUPAC name is 1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol.

Molecular Properties

Compound Name1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol
PubChem CID65189777
Molecular FormulaC15H17ClFNO2
Molecular Weight297.76 g/mol
Exact Mass297.09
IUPAC Name1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol
SMILESNCC(c1ccc(F)cc1Cl)C(O)CCc1ccco1
InChIInChI=1S/C15H17ClFNO2/c16-14-8-10(17)3-5-12(14)13(9-18)15(19)6-4-11-2-1-7-20-11/h1-3,5,7-8,13,15,19H,4,6,9,18H2
InChIKeyMCXSIXFHVQAANZ-UHFFFAOYSA-N
XLogP3.11
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 102622645
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65189585
1-amino-5-(furan-2-yl)-2-pyridin-4-ylpentan-3-ol
CID 80525704
1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105173645
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65188322
3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65188011
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine
CID 112517299
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105397390
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol
CID 65189724

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol?
The IUPAC name of 1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol (CID 65189777) is 1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol.
What is the SMILES notation for 1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol?
The canonical SMILES for 1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol is NCC(c1ccc(F)cc1Cl)C(O)CCc1ccco1.
What is the InChIKey of 1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol?
The InChIKey is MCXSIXFHVQAANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO2/c16-14-8-10(17)3-5-12(14)13(9-18)15(19)6-4-11-2-1-7-20-11/h1-3,5,7-8,13,15,19H,4,6,9,18H2.
What are the key properties of 1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol?
1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol has a molecular weight of 297.76 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol is sourced from PubChem (CID 65189777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).