1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine

C15H19NS — CID 81398812

IUPAC1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1cccs1)c1ccccc1
InChIInChI=1S/C15H19NS/c1-3-14(13-8-5-4-6-9-13)16-12(2)15-10-7-11-17-15/h4-12,14,16H,3H2,1-2H3/t12-,14?/m0/s1
InChIKeyGQDZKXLYJUZTIQ-NBFOIZRFSA-N
MW245.39 g/mol
LogP4.55
Rot. Bonds5

About 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine

1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine (PubChem CID 81398812) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
PubChem CID81398812
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1cccs1)c1ccccc1
InChIInChI=1S/C15H19NS/c1-3-14(13-8-5-4-6-9-13)16-12(2)15-10-7-11-17-15/h4-12,14,16H,3H2,1-2H3/t12-,14?/m0/s1
InChIKeyGQDZKXLYJUZTIQ-NBFOIZRFSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
(2R)-2-phenyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 103788696
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-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398672
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63182371
1-(furan-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399156
2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398198
1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398782
N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43673198

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine (CID 81398812) is 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine is CCC(N[C@@H](C)c1cccs1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is GQDZKXLYJUZTIQ-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H19NS/c1-3-14(13-8-5-4-6-9-13)16-12(2)15-10-7-11-17-15/h4-12,14,16H,3H2,1-2H3/t12-,14?/m0/s1.
What are the key properties of 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine?
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 81398812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).