N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine

C15H16N2O — CID 114078615

IUPACN-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine
SMILESCc1ccncc1CNc1ccc2c(c1)COC2
InChIInChI=1S/C15H16N2O/c1-11-4-5-16-7-14(11)8-17-15-3-2-12-9-18-10-13(12)6-15/h2-7,17H,8-10H2,1H3
InChIKeyOGHHFNCOALZOHD-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.03
Rot. Bonds3

About N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine

N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine (PubChem CID 114078615) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine
PubChem CID114078615
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine
SMILESCc1ccncc1CNc1ccc2c(c1)COC2
InChIInChI=1S/C15H16N2O/c1-11-4-5-16-7-14(11)8-17-15-3-2-12-9-18-10-13(12)6-15/h2-7,17H,8-10H2,1H3
InChIKeyOGHHFNCOALZOHD-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114078614
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 114954565
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
4-N-[(4-methyl-3-pyridinyl)methyl]-2-propoxybenzene-1,4-diamine
CID 114954604
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
CID 106659990
3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one
CID 114956606
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718
N,N-dimethyl-4-[(4-methyl-3-pyridinyl)methylamino]pyridine-2-carboxamide
CID 114956582
N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881537
2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
CID 114698439
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine (CID 114078615) is N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine is Cc1ccncc1CNc1ccc2c(c1)COC2.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine?
The InChIKey is OGHHFNCOALZOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-4-5-16-7-14(11)8-17-15-3-2-12-9-18-10-13(12)6-15/h2-7,17H,8-10H2,1H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine?
N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine has a molecular weight of 240.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine is sourced from PubChem (CID 114078615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).