6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine

C16H16N2O — CID 133483293

IUPAC6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine
SMILESCc1cccc(NCc2oc3ccccc3c2C)n1
InChIInChI=1S/C16H16N2O/c1-11-6-5-9-16(18-11)17-10-15-12(2)13-7-3-4-8-14(13)19-15/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyPHONQKJRMUJOTO-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.06
Rot. Bonds3

About 6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine

6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine (PubChem CID 133483293) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine
PubChem CID133483293
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine
SMILESCc1cccc(NCc2oc3ccccc3c2C)n1
InChIInChI=1S/C16H16N2O/c1-11-6-5-9-16(18-11)17-10-15-12(2)13-7-3-4-8-14(13)19-15/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyPHONQKJRMUJOTO-UHFFFAOYSA-N
XLogP4.06
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine
CID 72840493
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 741782
4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide
CID 133471261
N-[[4-(aminomethyl)phenyl]methyl]-6-methylpyridin-2-amine
CID 54936308
6-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61015260
1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
CID 46274745
N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide
CID 102134690
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70734151
1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 86960098
2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119789592

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine (CID 133483293) is 6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine is Cc1cccc(NCc2oc3ccccc3c2C)n1.
What is the InChIKey of 6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine?
The InChIKey is PHONQKJRMUJOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-6-5-9-16(18-11)17-10-15-12(2)13-7-3-4-8-14(13)19-15/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine?
6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine has a molecular weight of 252.32 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 133483293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).