1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

C18H28FNO3 — CID 24713378

IUPAC1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C18H28FNO3/c1-14(2)23-13-17(21)11-20(12-18-4-3-9-22-18)10-15-5-7-16(19)8-6-15/h5-8,14,17-18,21H,3-4,9-13H2,1-2H3
InChIKeyCWBBGMZZDFGGPK-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.59
Rot. Bonds9

About 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 24713378) has the molecular formula C18H28FNO3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID24713378
Molecular FormulaC18H28FNO3
Molecular Weight325.42 g/mol
Exact Mass325.21
IUPAC Name1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C18H28FNO3/c1-14(2)23-13-17(21)11-20(12-18-4-3-9-22-18)10-15-5-7-16(19)8-6-15/h5-8,14,17-18,21H,3-4,9-13H2,1-2H3
InChIKeyCWBBGMZZDFGGPK-UHFFFAOYSA-N
XLogP2.59
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (CID 24713378) is 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(Cc1ccc(F)cc1)CC1CCCO1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is CWBBGMZZDFGGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO3/c1-14(2)23-13-17(21)11-20(12-18-4-3-9-22-18)10-15-5-7-16(19)8-6-15/h5-8,14,17-18,21H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 325.42 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 24713378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).