3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine

C14H15ClFNS — CID 82542399

IUPAC3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C14H15ClFNS/c1-9(6-7-17)13-4-5-14(18-13)10-2-3-12(16)11(15)8-10/h2-5,8-9H,6-7,17H2,1H3
InChIKeyKCMGJFZPSMRMHN-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.66
Rot. Bonds4

About 3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine

3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine (PubChem CID 82542399) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
PubChem CID82542399
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC Name3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C14H15ClFNS/c1-9(6-7-17)13-4-5-14(18-13)10-2-3-12(16)11(15)8-10/h2-5,8-9H,6-7,17H2,1H3
InChIKeyKCMGJFZPSMRMHN-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43288186
3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 82542305
3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine
CID 82542688
4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline
CID 82542602
3-[5-(1-phenylpyrazol-4-yl)thiophen-2-yl]butan-1-amine
CID 82542315
N-[[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43287359
3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine
CID 82542632
1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43154192
1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 63400821
1-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 43154441
2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine
CID 82106779
[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone
CID 43331776

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of 3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine (CID 82542399) is 3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for 3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for 3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine is CC(CCN)c1ccc(-c2ccc(F)c(Cl)c2)s1.
What is the InChIKey of 3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is KCMGJFZPSMRMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-9(6-7-17)13-4-5-14(18-13)10-2-3-12(16)11(15)8-10/h2-5,8-9H,6-7,17H2,1H3.
What are the key properties of 3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine?
3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 82542399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).