trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine

C16H18N2O — CID 135905415

IUPACtrans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1ncccc1CN[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C16H18N2O/c1-19-16-13(8-5-9-17-16)11-18-15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15,18H,10-11H2,1H3/t14-,15+/m1/s1
InChIKeyNPKNICGBPBZUFV-CABCVRRESA-N
MW254.33 g/mol
LogP2.74
Rot. Bonds5

About trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine

trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 135905415) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID135905415
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Nametrans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1ncccc1CN[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C16H18N2O/c1-19-16-13(8-5-9-17-16)11-18-15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15,18H,10-11H2,1H3/t14-,15+/m1/s1
InChIKeyNPKNICGBPBZUFV-CABCVRRESA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine (CID 135905415) is trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine is COc1ncccc1CN[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is NPKNICGBPBZUFV-CABCVRRESA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-16-13(8-5-9-17-16)11-18-15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15,18H,10-11H2,1H3/t14-,15+/m1/s1.
What are the key properties of trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 254.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 135905415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).