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

C22H28FNO3 — CID 46006812

IUPAC1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C22H28FNO3/c23-20-10-8-18(9-11-20)13-24(15-22-7-4-12-27-22)14-21(25)17-26-16-19-5-2-1-3-6-19/h1-3,5-6,8-11,21-22,25H,4,7,12-17H2
InChIKeyLCEHJVUCBOVVLG-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.38
Rot. Bonds10

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

1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 46006812) has the molecular formula C22H28FNO3 and a molecular weight of 373.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID46006812
Molecular FormulaC22H28FNO3
Molecular Weight373.47 g/mol
Exact Mass373.21
IUPAC Name1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C22H28FNO3/c23-20-10-8-18(9-11-20)13-24(15-22-7-4-12-27-22)14-21(25)17-26-16-19-5-2-1-3-6-19/h1-3,5-6,8-11,21-22,25H,4,7,12-17H2
InChIKeyLCEHJVUCBOVVLG-UHFFFAOYSA-N
XLogP3.38
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.38
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-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol (CID 46006812) is 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol is OC(COCc1ccccc1)CN(Cc1ccc(F)cc1)CC1CCCO1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is LCEHJVUCBOVVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO3/c23-20-10-8-18(9-11-20)13-24(15-22-7-4-12-27-22)14-21(25)17-26-16-19-5-2-1-3-6-19/h1-3,5-6,8-11,21-22,25H,4,7,12-17H2.
What are the key properties of 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol?
1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 373.47 g/mol, XLogP of 3.38, 10 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-phenylmethoxypropan-2-ol is sourced from PubChem (CID 46006812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).