3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol

C20H26FNO — CID 59570718

IUPAC3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCN(Cc2ccccc2)C(C)C)cc1F
InChIInChI=1S/C20H26FNO/c1-15(2)22(14-17-7-5-4-6-8-17)12-11-20(23)18-10-9-16(3)19(21)13-18/h4-10,13,15,20,23H,11-12,14H2,1-3H3
InChIKeyLGCFZYIIBHNCPX-UHFFFAOYSA-N
MW315.43 g/mol
LogP4.47
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol

3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol (PubChem CID 59570718) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol
PubChem CID59570718
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCN(Cc2ccccc2)C(C)C)cc1F
InChIInChI=1S/C20H26FNO/c1-15(2)22(14-17-7-5-4-6-8-17)12-11-20(23)18-10-9-16(3)19(21)13-18/h4-10,13,15,20,23H,11-12,14H2,1-3H3
InChIKeyLGCFZYIIBHNCPX-UHFFFAOYSA-N
XLogP4.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Benzhydryl-4-p-tolylpiperidin-4-ol
CID 9924923
4-Phenyl-1-(1-phenylethyl)piperidin-4-ol
CID 9925737
10S-hydroxylobel-7-ene
CID 10687251
8R-hydroxylobelane
CID 10782198
10S-hydroxylobelane
CID 10782199
8S-hydroxylobel-9-ene
CID 12018177
8R-hydroxylobel-9-ene
CID 12018178
4-Phenyl-1-(1-phenylpropyl)piperidin-4-ol
CID 44426806

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol (CID 59570718) is 3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol is Cc1ccc(C(O)CCN(Cc2ccccc2)C(C)C)cc1F.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol?
The InChIKey is LGCFZYIIBHNCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-15(2)22(14-17-7-5-4-6-8-17)12-11-20(23)18-10-9-16(3)19(21)13-18/h4-10,13,15,20,23H,11-12,14H2,1-3H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol?
3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol has a molecular weight of 315.43 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 59570718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).