N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine

C17H22FNS — CID 63400867

IUPACN-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NCC)c1ccc(-c2cccc(F)c2C)s1
InChIInChI=1S/C17H22FNS/c1-4-7-15(19-5-2)17-11-10-16(20-17)13-8-6-9-14(18)12(13)3/h6,8-11,15,19H,4-5,7H2,1-3H3
InChIKeyJKLMJCWOLAUERR-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.31
Rot. Bonds6

About N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine

N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine (PubChem CID 63400867) has the molecular formula C17H22FNS and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine
PubChem CID63400867
Molecular FormulaC17H22FNS
Molecular Weight291.44 g/mol
Exact Mass291.15
IUPAC NameN-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NCC)c1ccc(-c2cccc(F)c2C)s1
InChIInChI=1S/C17H22FNS/c1-4-7-15(19-5-2)17-11-10-16(20-17)13-8-6-9-14(18)12(13)3/h6,8-11,15,19H,4-5,7H2,1-3H3
InChIKeyJKLMJCWOLAUERR-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
CID 43288049
N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine
CID 43287717
1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 63400861
1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287611
1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 103586914
1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43438630
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586232
1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287799
1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 114260892
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine (CID 63400867) is N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine is CCCC(NCC)c1ccc(-c2cccc(F)c2C)s1.
What is the InChIKey of N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is JKLMJCWOLAUERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNS/c1-4-7-15(19-5-2)17-11-10-16(20-17)13-8-6-9-14(18)12(13)3/h6,8-11,15,19H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine?
N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 63400867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).