1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol

C18H24FNOS — CID 46007501

IUPAC1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol
SMILESCCCC(O)CN(Cc1ccc(F)cc1)Cc1ccc(C)s1
InChIInChI=1S/C18H24FNOS/c1-3-4-17(21)12-20(13-18-10-5-14(2)22-18)11-15-6-8-16(19)9-7-15/h5-10,17,21H,3-4,11-13H2,1-2H3
InChIKeyAXAAULVYLBTDKJ-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.36
Rot. Bonds8

About 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol

1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol (PubChem CID 46007501) has the molecular formula C18H24FNOS and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol
PubChem CID46007501
Molecular FormulaC18H24FNOS
Molecular Weight321.46 g/mol
Exact Mass321.16
IUPAC Name1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol
SMILESCCCC(O)CN(Cc1ccc(F)cc1)Cc1ccc(C)s1
InChIInChI=1S/C18H24FNOS/c1-3-4-17(21)12-20(13-18-10-5-14(2)22-18)11-15-6-8-16(19)9-7-15/h5-10,17,21H,3-4,11-13H2,1-2H3
InChIKeyAXAAULVYLBTDKJ-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol (CID 46007501) is 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol is CCCC(O)CN(Cc1ccc(F)cc1)Cc1ccc(C)s1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol?
The InChIKey is AXAAULVYLBTDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNOS/c1-3-4-17(21)12-20(13-18-10-5-14(2)22-18)11-15-6-8-16(19)9-7-15/h5-10,17,21H,3-4,11-13H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol?
1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol has a molecular weight of 321.46 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]pentan-2-ol is sourced from PubChem (CID 46007501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).