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

C16H20FNS — CID 79049605

IUPACN-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cc(C)cc(F)c2)s1
InChIInChI=1S/C16H20FNS/c1-4-7-18-12(3)15-5-6-16(19-15)13-8-11(2)9-14(17)10-13/h5-6,8-10,12,18H,4,7H2,1-3H3
InChIKeyIPJSTELGLLPSNK-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.92
Rot. Bonds5

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

N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine (PubChem CID 79049605) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine
PubChem CID79049605
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC NameN-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cc(C)cc(F)c2)s1
InChIInChI=1S/C16H20FNS/c1-4-7-18-12(3)15-5-6-16(19-15)13-8-11(2)9-14(17)10-13/h5-6,8-10,12,18H,4,7H2,1-3H3
InChIKeyIPJSTELGLLPSNK-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine
CID 79049374
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288225
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 107368903
N-ethyl-1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanamine
CID 43287860
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 107586228
1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine
CID 43287935
N-[1-[5-(2,4-dichlorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288307
N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43287695
N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 63400734
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 63400689

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine (CID 79049605) is N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2cc(C)cc(F)c2)s1.
What is the InChIKey of N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine?
The InChIKey is IPJSTELGLLPSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-4-7-18-12(3)15-5-6-16(19-15)13-8-11(2)9-14(17)10-13/h5-6,8-10,12,18H,4,7H2,1-3H3.
What are the key properties of N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine?
N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79049605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).