3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine

C17H20N2O — CID 114698615

IUPAC3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cnccc1CNC1c2ccccc2OCC1C
InChIInChI=1S/C17H20N2O/c1-12-9-18-8-7-14(12)10-19-17-13(2)11-20-16-6-4-3-5-15(16)17/h3-9,13,17,19H,10-11H2,1-2H3
InChIKeyOZPYQHLDIPDJPU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.25
Rot. Bonds3

About 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine

3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114698615) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID114698615
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cnccc1CNC1c2ccccc2OCC1C
InChIInChI=1S/C17H20N2O/c1-12-9-18-8-7-14(12)10-19-17-13(2)11-20-16-6-4-3-5-15(16)17/h3-9,13,17,19H,10-11H2,1-2H3
InChIKeyOZPYQHLDIPDJPU-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 106369720
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524257
3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524329
N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
CID 114698974
4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol
CID 106125894
3-methyl-N-[3-(triazol-1-yl)propyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524410
1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea
CID 97331934
4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104524065
2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine
CID 114698950
3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 106143445
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114699208
3-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 104524260

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 114698615) is 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1cnccc1CNC1c2ccccc2OCC1C.
What is the InChIKey of 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OZPYQHLDIPDJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-9-18-8-7-14(12)10-19-17-13(2)11-20-16-6-4-3-5-15(16)17/h3-9,13,17,19H,10-11H2,1-2H3.
What are the key properties of 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114698615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).