1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

C18H24FNO4 — CID 24713374

IUPAC1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCOCCN(Cc1ccc(F)cc1)CC(O)COCc1ccco1
InChIInChI=1S/C18H24FNO4/c1-22-10-8-20(11-15-4-6-16(19)7-5-15)12-17(21)13-23-14-18-3-2-9-24-18/h2-7,9,17,21H,8,10-14H2,1H3
InChIKeySJEQXMGIGTXTOV-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.44
Rot. Bonds11

About 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 24713374) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID24713374
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCOCCN(Cc1ccc(F)cc1)CC(O)COCc1ccco1
InChIInChI=1S/C18H24FNO4/c1-22-10-8-20(11-15-4-6-16(19)7-5-15)12-17(21)13-23-14-18-3-2-9-24-18/h2-7,9,17,21H,8,10-14H2,1H3
InChIKeySJEQXMGIGTXTOV-UHFFFAOYSA-N
XLogP2.44
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 24713374) is 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is COCCN(Cc1ccc(F)cc1)CC(O)COCc1ccco1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is SJEQXMGIGTXTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4/c1-22-10-8-20(11-15-4-6-16(19)7-5-15)12-17(21)13-23-14-18-3-2-9-24-18/h2-7,9,17,21H,8,10-14H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 337.39 g/mol, XLogP of 2.44, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 24713374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).