trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine

C14H15NS — CID 46869807

IUPACtrans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCc2cccs2)cc1
InChIInChI=1S/C14H15NS/c1-2-5-11(6-3-1)13-9-14(13)15-10-12-7-4-8-16-12/h1-8,13-15H,9-10H2/t13-,14+/m0/s1
InChIKeySXKDFDDQCZPCSI-UONOGXRCSA-N
MW229.35 g/mol
LogP3.39
Rot. Bonds4

About trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine

trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine (PubChem CID 46869807) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
PubChem CID46869807
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Nametrans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCc2cccs2)cc1
InChIInChI=1S/C14H15NS/c1-2-5-11(6-3-1)13-9-14(13)15-10-12-7-4-8-16-12/h1-8,13-15H,9-10H2/t13-,14+/m0/s1
InChIKeySXKDFDDQCZPCSI-UONOGXRCSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine (CID 46869807) is trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine is c1ccc([C@@H]2C[C@H]2NCc2cccs2)cc1.
What is the InChIKey of trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine?
The InChIKey is SXKDFDDQCZPCSI-UONOGXRCSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-5-11(6-3-1)13-9-14(13)15-10-12-7-4-8-16-12/h1-8,13-15H,9-10H2/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine?
trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine has a molecular weight of 229.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 46869807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).