2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol

C20H28FNOS — CID 22279843

IUPAC2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCc1ccc(CCCCCc2ccc(F)cc2)s1
InChIInChI=1S/C20H28FNOS/c1-20(22,15-23)14-13-19-12-11-18(24-19)6-4-2-3-5-16-7-9-17(21)10-8-16/h7-12,23H,2-6,13-15,22H2,1H3
InChIKeyBYQHQGFWMGRISE-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.49
Rot. Bonds10

About 2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol

2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol (PubChem CID 22279843) has the molecular formula C20H28FNOS and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol
PubChem CID22279843
Molecular FormulaC20H28FNOS
Molecular Weight349.52 g/mol
Exact Mass349.19
IUPAC Name2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCc1ccc(CCCCCc2ccc(F)cc2)s1
InChIInChI=1S/C20H28FNOS/c1-20(22,15-23)14-13-19-12-11-18(24-19)6-4-2-3-5-16-7-9-17(21)10-8-16/h7-12,23H,2-6,13-15,22H2,1H3
InChIKeyBYQHQGFWMGRISE-UHFFFAOYSA-N
XLogP4.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-2-[2-(5-octylthiophen-2-yl)ethyl]propane-1,3-diol;hydrochloride
CID 21849371
1-[5-(3-Amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-5-(4-fluorophenyl)pentan-1-one
CID 9969013
2-Amino-4-[5-[5-(4-fluorophenyl)pent-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol
CID 10308870
2-Amino-2-[2-(5-octylthiophen-2-yl)ethyl]propane-1,3-diol
CID 10757587
2-Amino-4-[5-[5-(3-fluorophenyl)pent-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol
CID 22279653
2-Amino-4-[5-[4-[(3-fluorophenyl)methoxy]but-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol
CID 22279659
1-[5-(3-Amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-5-(3-fluorophenyl)pentan-1-one
CID 22279755
2-Amino-4-[5-[5-[3,4-bis(trifluoromethyl)phenyl]pent-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol
CID 22279815
2-Amino-4-[5-[4-[(4-fluorophenyl)methoxy]but-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol
CID 22279816
2-Amino-2-methyl-4-[5-[5-(2,3,4-trifluorophenyl)pent-1-ynyl]thiophen-2-yl]butan-1-ol
CID 22279822
2-Amino-2-methyl-4-[5-[5-[3-(trifluoromethyl)phenyl]pent-1-ynyl]thiophen-2-yl]butan-1-ol
CID 22279834
1-[5-(3-Amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-5-(3,4-difluorophenyl)pentan-1-one
CID 22279864

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol (CID 22279843) is 2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol is CC(N)(CO)CCc1ccc(CCCCCc2ccc(F)cc2)s1.
What is the InChIKey of 2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol?
The InChIKey is BYQHQGFWMGRISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNOS/c1-20(22,15-23)14-13-19-12-11-18(24-19)6-4-2-3-5-16-7-9-17(21)10-8-16/h7-12,23H,2-6,13-15,22H2,1H3.
What are the key properties of 2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol?
2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol has a molecular weight of 349.52 g/mol, XLogP of 4.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol is sourced from PubChem (CID 22279843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).