3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine

C15H16N2O — CID 114522818

IUPAC3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine
SMILESNc1ccncc1Cc1cccc(OC2CC2)c1
InChIInChI=1S/C15H16N2O/c16-15-6-7-17-10-12(15)8-11-2-1-3-14(9-11)18-13-4-5-13/h1-3,6-7,9-10,13H,4-5,8H2,(H2,16,17)
InChIKeyQAGDUMOIQYCZFO-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.80
Rot. Bonds4

About 3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine

3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine (PubChem CID 114522818) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine
PubChem CID114522818
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine
SMILESNc1ccncc1Cc1cccc(OC2CC2)c1
InChIInChI=1S/C15H16N2O/c16-15-6-7-17-10-12(15)8-11-2-1-3-14(9-11)18-13-4-5-13/h1-3,6-7,9-10,13H,4-5,8H2,(H2,16,17)
InChIKeyQAGDUMOIQYCZFO-UHFFFAOYSA-N
XLogP2.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine?
The IUPAC name of 3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine (CID 114522818) is 3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine is Nc1ccncc1Cc1cccc(OC2CC2)c1.
What is the InChIKey of 3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine?
The InChIKey is QAGDUMOIQYCZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-15-6-7-17-10-12(15)8-11-2-1-3-14(9-11)18-13-4-5-13/h1-3,6-7,9-10,13H,4-5,8H2,(H2,16,17).
What are the key properties of 3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine?
3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine has a molecular weight of 240.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 114522818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).