(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine

C16H20FNS — CID 81367633

IUPAC(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCc1cc(C(C)N[C@H](C)c2cccc(F)c2)c(C)s1
InChIInChI=1S/C16H20FNS/c1-10-8-16(13(4)19-10)12(3)18-11(2)14-6-5-7-15(17)9-14/h5-9,11-12,18H,1-4H3/t11-,12?/m1/s1
InChIKeyDVXLLXJVIHEWNG-JHJMLUEUSA-N
MW277.41 g/mol
LogP4.92
Rot. Bonds4

About (1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine

(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 81367633) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is (1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine
PubChem CID81367633
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC Name(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCc1cc(C(C)N[C@H](C)c2cccc(F)c2)c(C)s1
InChIInChI=1S/C16H20FNS/c1-10-8-16(13(4)19-10)12(3)18-11(2)14-6-5-7-15(17)9-14/h5-9,11-12,18H,1-4H3/t11-,12?/m1/s1
InChIKeyDVXLLXJVIHEWNG-JHJMLUEUSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 43789444
N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43095447
(1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81365478
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 81365540
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-thiophen-2-ylethanamine
CID 43206081
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82963187
1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 63993212
(1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82964513

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine (CID 81367633) is (1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine is Cc1cc(C(C)N[C@H](C)c2cccc(F)c2)c(C)s1.
What is the InChIKey of (1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is DVXLLXJVIHEWNG-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H20FNS/c1-10-8-16(13(4)19-10)12(3)18-11(2)14-6-5-7-15(17)9-14/h5-9,11-12,18H,1-4H3/t11-,12?/m1/s1.
What are the key properties of (1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 81367633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).