N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine

C16H17FN2O — CID 116519991

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine
SMILESCC1(C)Cc2cccc(CNc3cccc(F)n3)c2O1
InChIInChI=1S/C16H17FN2O/c1-16(2)9-11-5-3-6-12(15(11)20-16)10-18-14-8-4-7-13(17)19-14/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyACDMWBKOGZOBBE-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.55
Rot. Bonds3

About N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine (PubChem CID 116519991) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine
PubChem CID116519991
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine
SMILESCC1(C)Cc2cccc(CNc3cccc(F)n3)c2O1
InChIInChI=1S/C16H17FN2O/c1-16(2)9-11-5-3-6-12(15(11)20-16)10-18-14-8-4-7-13(17)19-14/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyACDMWBKOGZOBBE-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine
CID 126782877
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline
CID 64509256
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine
CID 107234323
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 126795085
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 71204058
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 103721598
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731540
4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol
CID 115641600
3-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylaniline
CID 107582306
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115641542
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 64508375

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine (CID 116519991) is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine is CC1(C)Cc2cccc(CNc3cccc(F)n3)c2O1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine?
The InChIKey is ACDMWBKOGZOBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-16(2)9-11-5-3-6-12(15(11)20-16)10-18-14-8-4-7-13(17)19-14/h3-8H,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine has a molecular weight of 272.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 116519991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).