trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine

C16H15F2NO — CID 71458817

IUPACtrans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1
InChIInChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2/t12-,15+/m0/s1
InChIKeyFEABGXGNJUOXAX-SWLSCSKDSA-N
MW275.30 g/mol
LogP3.36
Rot. Bonds4

About trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine

trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine (PubChem CID 71458817) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
PubChem CID71458817
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Nametrans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1
InChIInChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2/t12-,15+/m0/s1
InChIKeyFEABGXGNJUOXAX-SWLSCSKDSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.36
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-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine (CID 71458817) is trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine is N[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine?
The InChIKey is FEABGXGNJUOXAX-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2/t12-,15+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine?
trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine has a molecular weight of 275.30 g/mol, XLogP of 3.36, 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-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 71458817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).