2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine

C17H17ClN2O — CID 65491280

IUPAC2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine
SMILESCCc1oc2ccccc2c1CNc1c(C)ccnc1Cl
InChIInChI=1S/C17H17ClN2O/c1-3-14-13(12-6-4-5-7-15(12)21-14)10-20-16-11(2)8-9-19-17(16)18/h4-9,20H,3,10H2,1-2H3
InChIKeyATLFEKKSQDVORB-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.96
Rot. Bonds4

About 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine

2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine (PubChem CID 65491280) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine
PubChem CID65491280
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine
SMILESCCc1oc2ccccc2c1CNc1c(C)ccnc1Cl
InChIInChI=1S/C17H17ClN2O/c1-3-14-13(12-6-4-5-7-15(12)21-14)10-20-16-11(2)8-9-19-17(16)18/h4-9,20H,3,10H2,1-2H3
InChIKeyATLFEKKSQDVORB-UHFFFAOYSA-N
XLogP4.96
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.96
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

2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline
CID 66254002
2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 65469504
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline
CID 43666012
3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline
CID 107582283
4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43666008
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline
CID 43666009
4-bromo-3-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 107618736
2-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylaniline
CID 43665979
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79492984
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine
CID 65485112

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine (CID 65491280) is 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine is CCc1oc2ccccc2c1CNc1c(C)ccnc1Cl.
What is the InChIKey of 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine?
The InChIKey is ATLFEKKSQDVORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-3-14-13(12-6-4-5-7-15(12)21-14)10-20-16-11(2)8-9-19-17(16)18/h4-9,20H,3,10H2,1-2H3.
What are the key properties of 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine?
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine has a molecular weight of 300.79 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 65491280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).