trans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine

C16H15F3N2 — CID 56655050

IUPACtrans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)ccc1[C@H]1C[C@@H]1N
InChIInChI=1S/C16H15F3N2/c1-9-12(13-8-14(13)20)5-6-15(21-9)10-3-2-4-11(7-10)16(17,18)19/h2-7,13-14H,8,20H2,1H3/t13-,14+/m1/s1
InChIKeyCMPUDBDKHAJXQN-KGLIPLIRSA-N
MW292.30 g/mol
LogP3.89
Rot. Bonds2

About trans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine

trans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine (PubChem CID 56655050) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is trans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine
PubChem CID56655050
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Nametrans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)ccc1[C@H]1C[C@@H]1N
InChIInChI=1S/C16H15F3N2/c1-9-12(13-8-14(13)20)5-6-15(21-9)10-3-2-4-11(7-10)16(17,18)19/h2-7,13-14H,8,20H2,1H3/t13-,14+/m1/s1
InChIKeyCMPUDBDKHAJXQN-KGLIPLIRSA-N
XLogP3.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine (CID 56655050) is trans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine is Cc1nc(-c2cccc(C(F)(F)F)c2)ccc1[C@H]1C[C@@H]1N.
What is the InChIKey of trans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
The InChIKey is CMPUDBDKHAJXQN-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H15F3N2/c1-9-12(13-8-14(13)20)5-6-15(21-9)10-3-2-4-11(7-10)16(17,18)19/h2-7,13-14H,8,20H2,1H3/t13-,14+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
trans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine has a molecular weight of 292.30 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine is sourced from PubChem (CID 56655050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).