1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine

C17H21ClFNS — CID 43287835

IUPAC1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(-c2ccc(F)cc2Cl)s1)C(C)C
InChIInChI=1S/C17H21ClFNS/c1-4-9-20-17(11(2)3)16-8-7-15(21-16)13-6-5-12(19)10-14(13)18/h5-8,10-11,17,20H,4,9H2,1-3H3
InChIKeyGDDPXOYCWCLPEH-UHFFFAOYSA-N
MW325.88 g/mol
LogP5.90
Rot. Bonds6

About 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine

1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine (PubChem CID 43287835) has the molecular formula C17H21ClFNS and a molecular weight of 325.88 g/mol. Its IUPAC name is 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
PubChem CID43287835
Molecular FormulaC17H21ClFNS
Molecular Weight325.88 g/mol
Exact Mass325.11
IUPAC Name1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(-c2ccc(F)cc2Cl)s1)C(C)C
InChIInChI=1S/C17H21ClFNS/c1-4-9-20-17(11(2)3)16-8-7-15(21-16)13-6-5-12(19)10-14(13)18/h5-8,10-11,17,20H,4,9H2,1-3H3
InChIKeyGDDPXOYCWCLPEH-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.88
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 107530684
1-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43288186
1-[5-(2-bromo-4-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81279710
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81280056
N-[1-[5-(2,4-dichlorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288307
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43154322
N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288225
N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287243
1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43288084
1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43438630
1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43287985
N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287494

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine (CID 43287835) is 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccc(-c2ccc(F)cc2Cl)s1)C(C)C.
What is the InChIKey of 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine?
The InChIKey is GDDPXOYCWCLPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFNS/c1-4-9-20-17(11(2)3)16-8-7-15(21-16)13-6-5-12(19)10-14(13)18/h5-8,10-11,17,20H,4,9H2,1-3H3.
What are the key properties of 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine?
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine has a molecular weight of 325.88 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 43287835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).