1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine

C16H21NS — CID 81409318

IUPAC1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
SMILESCCc1ccc(C(C)N[C@H](C)c2cccs2)cc1
InChIInChI=1S/C16H21NS/c1-4-14-7-9-15(10-8-14)12(2)17-13(3)16-6-5-11-18-16/h5-13,17H,4H2,1-3H3/t12?,13-/m1/s1
InChIKeyDHFDUNAGGKWASK-ZGTCLIOFSA-N
MW259.42 g/mol
LogP4.72
Rot. Bonds5

About 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine

1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine (PubChem CID 81409318) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
PubChem CID81409318
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
SMILESCCc1ccc(C(C)N[C@H](C)c2cccs2)cc1
InChIInChI=1S/C16H21NS/c1-4-14-7-9-15(10-8-14)12(2)17-13(3)16-6-5-11-18-16/h5-13,17H,4H2,1-3H3/t12?,13-/m1/s1
InChIKeyDHFDUNAGGKWASK-ZGTCLIOFSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398434
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398234
(4-ethylphenyl)-thiophen-2-ylmethanol
CID 61104575
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257
1-(4-methylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398298
1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 43206039
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol
CID 43684152
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine (CID 81409318) is 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine is CCc1ccc(C(C)N[C@H](C)c2cccs2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The InChIKey is DHFDUNAGGKWASK-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-14-7-9-15(10-8-14)12(2)17-13(3)16-6-5-11-18-16/h5-13,17H,4H2,1-3H3/t12?,13-/m1/s1.
What are the key properties of 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine is sourced from PubChem (CID 81409318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).