1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine

C15H16N2O — CID 121277753

IUPAC1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine
SMILESCOc1ccc(-c2ccc(C3(N)CC3)cc2)cn1
InChIInChI=1S/C15H16N2O/c1-18-14-7-4-12(10-17-14)11-2-5-13(6-3-11)15(16)8-9-15/h2-7,10H,8-9,16H2,1H3
InChIKeyDFKAWLTUMDQKOY-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.70
Rot. Bonds3

About 1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine

1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine (PubChem CID 121277753) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine
PubChem CID121277753
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine
SMILESCOc1ccc(-c2ccc(C3(N)CC3)cc2)cn1
InChIInChI=1S/C15H16N2O/c1-18-14-7-4-12(10-17-14)11-2-5-13(6-3-11)15(16)8-9-15/h2-7,10H,8-9,16H2,1H3
InChIKeyDFKAWLTUMDQKOY-UHFFFAOYSA-N
XLogP2.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine (CID 121277753) is 1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine is COc1ccc(-c2ccc(C3(N)CC3)cc2)cn1.
What is the InChIKey of 1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine?
The InChIKey is DFKAWLTUMDQKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-18-14-7-4-12(10-17-14)11-2-5-13(6-3-11)15(16)8-9-15/h2-7,10H,8-9,16H2,1H3.
What are the key properties of 1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine?
1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine has a molecular weight of 240.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 121277753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).