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

C19H24FNOS — CID 46007505

IUPAC1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(Cc1ccc(F)cc1)Cc1ccc(C)s1
InChIInChI=1S/C19H24FNOS/c1-3-4-5-18(22)13-21(14-19-11-6-15(2)23-19)12-16-7-9-17(20)10-8-16/h3,6-11,18,22H,1,4-5,12-14H2,2H3
InChIKeyHZHZORYZBDBZFS-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.52
Rot. Bonds9

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

1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol (PubChem CID 46007505) has the molecular formula C19H24FNOS and a molecular weight of 333.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol
PubChem CID46007505
Molecular FormulaC19H24FNOS
Molecular Weight333.47 g/mol
Exact Mass333.16
IUPAC Name1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(Cc1ccc(F)cc1)Cc1ccc(C)s1
InChIInChI=1S/C19H24FNOS/c1-3-4-5-18(22)13-21(14-19-11-6-15(2)23-19)12-16-7-9-17(20)10-8-16/h3,6-11,18,22H,1,4-5,12-14H2,2H3
InChIKeyHZHZORYZBDBZFS-UHFFFAOYSA-N
XLogP4.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol (CID 46007505) is 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol is C=CCCC(O)CN(Cc1ccc(F)cc1)Cc1ccc(C)s1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol?
The InChIKey is HZHZORYZBDBZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNOS/c1-3-4-5-18(22)13-21(14-19-11-6-15(2)23-19)12-16-7-9-17(20)10-8-16/h3,6-11,18,22H,1,4-5,12-14H2,2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol?
1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]hex-5-en-2-ol has a molecular weight of 333.47 g/mol, XLogP of 4.52, 9 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]hex-5-en-2-ol is sourced from PubChem (CID 46007505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).