3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine

C14H16ClNS — CID 82542688

IUPAC3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C14H16ClNS/c1-10(8-9-16)13-6-7-14(17-13)11-4-2-3-5-12(11)15/h2-7,10H,8-9,16H2,1H3
InChIKeyOTZWTGWWVBSEEE-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.52
Rot. Bonds4

About 3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine

3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine (PubChem CID 82542688) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine
PubChem CID82542688
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C14H16ClNS/c1-10(8-9-16)13-6-7-14(17-13)11-4-2-3-5-12(11)15/h2-7,10H,8-9,16H2,1H3
InChIKeyOTZWTGWWVBSEEE-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 82542399
3-[4-chloro-3-(2-chlorophenyl)phenyl]butan-1-amine
CID 82542679
4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline
CID 82542602
3-[3-(2-chlorophenyl)phenyl]butan-1-amine
CID 82542690
3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 82542305
1-[5-(3-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154483
1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154444
3-[5-(1-phenylpyrazol-4-yl)thiophen-2-yl]butan-1-amine
CID 82542315
2-methyl-1-[5-(2-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43363500
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539787
2-amino-1-[5-(2-methylphenyl)thiophen-2-yl]ethanol
CID 82116281
2-(bromomethyl)-5-(2-chlorophenyl)thiophene
CID 67396627

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of 3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine (CID 82542688) is 3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for 3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for 3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine is CC(CCN)c1ccc(-c2ccccc2Cl)s1.
What is the InChIKey of 3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is OTZWTGWWVBSEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-10(8-9-16)13-6-7-14(17-13)11-4-2-3-5-12(11)15/h2-7,10H,8-9,16H2,1H3.
What are the key properties of 3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine?
3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 265.81 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 82542688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).