N-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine

C13H16N2O — CID 86340385

IUPACN-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine
SMILESCOc1ccccc1CNC1C=CC=CN1
InChIInChI=1S/C13H16N2O/c1-16-12-7-3-2-6-11(12)10-15-13-8-4-5-9-14-13/h2-9,13-15H,10H2,1H3
InChIKeyRGGLNHYJVRIMPI-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.78
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine

N-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine (PubChem CID 86340385) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine
PubChem CID86340385
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine
SMILESCOc1ccccc1CNC1C=CC=CN1
InChIInChI=1S/C13H16N2O/c1-16-12-7-3-2-6-11(12)10-15-13-8-4-5-9-14-13/h2-9,13-15H,10H2,1H3
InChIKeyRGGLNHYJVRIMPI-UHFFFAOYSA-N
XLogP1.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
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CID 69248691
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CID 65029818
N-[(2-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711434
N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine (CID 86340385) is N-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine is COc1ccccc1CNC1C=CC=CN1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine?
The InChIKey is RGGLNHYJVRIMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-12-7-3-2-6-11(12)10-15-13-8-4-5-9-14-13/h2-9,13-15H,10H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine?
N-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine has a molecular weight of 216.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 86340385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).