1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C18H30FNO3 — CID 24713352

IUPAC1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCOCCCN(Cc1ccccc1F)CC(O)COC(C)(C)C
InChIInChI=1S/C18H30FNO3/c1-18(2,3)23-14-16(21)13-20(10-7-11-22-4)12-15-8-5-6-9-17(15)19/h5-6,8-9,16,21H,7,10-14H2,1-4H3
InChIKeyPHTKTZADNWFJCF-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.84
Rot. Bonds10

About 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 24713352) has the molecular formula C18H30FNO3 and a molecular weight of 327.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID24713352
Molecular FormulaC18H30FNO3
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCOCCCN(Cc1ccccc1F)CC(O)COC(C)(C)C
InChIInChI=1S/C18H30FNO3/c1-18(2,3)23-14-16(21)13-20(10-7-11-22-4)12-15-8-5-6-9-17(15)19/h5-6,8-9,16,21H,7,10-14H2,1-4H3
InChIKeyPHTKTZADNWFJCF-UHFFFAOYSA-N
XLogP2.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 24713352) is 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is COCCCN(Cc1ccccc1F)CC(O)COC(C)(C)C.
What is the InChIKey of 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is PHTKTZADNWFJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO3/c1-18(2,3)23-14-16(21)13-20(10-7-11-22-4)12-15-8-5-6-9-17(15)19/h5-6,8-9,16,21H,7,10-14H2,1-4H3.
What are the key properties of 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 327.44 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 24713352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).