1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine

C14H16ClNS — CID 43287778

IUPAC1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H16ClNS/c1-3-12(16-2)14-9-8-13(17-14)10-4-6-11(15)7-5-10/h4-9,12,16H,3H2,1-2H3
InChIKeyVUSOWMVTERUWQB-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.74
Rot. Bonds4

About 1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine

1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine (PubChem CID 43287778) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
PubChem CID43287778
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H16ClNS/c1-3-12(16-2)14-9-8-13(17-14)10-4-6-11(15)7-5-10/h4-9,12,16H,3H2,1-2H3
InChIKeyVUSOWMVTERUWQB-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-methylpropan-1-amine
CID 43288150
1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43288164
1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43288239
1-[5-(4-bromo-2,3-dichlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 107792497
1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43287933
1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 114260892
1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 63400821
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007
2,5-bis(4-chlorophenyl)thiophene
CID 3588046
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 63400689
N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287870

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine (CID 43287778) is 1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine?
The InChIKey is VUSOWMVTERUWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-3-12(16-2)14-9-8-13(17-14)10-4-6-11(15)7-5-10/h4-9,12,16H,3H2,1-2H3.
What are the key properties of 1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine?
1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine has a molecular weight of 265.81 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 43287778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).