N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine

C17H17ClN2O — CID 105187049

IUPACN-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C17H17ClN2O/c1-3-20-16(13-7-11(2)9-19-10-13)15-8-12-5-4-6-14(18)17(12)21-15/h4-10,16,20H,3H2,1-2H3
InChIKeyHHOGYXCICRVOIP-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.49
Rot. Bonds4

About N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine

N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 105187049) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID105187049
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C17H17ClN2O/c1-3-20-16(13-7-11(2)9-19-10-13)15-8-12-5-4-6-14(18)17(12)21-15/h4-10,16,20H,3H2,1-2H3
InChIKeyHHOGYXCICRVOIP-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-chloro-1-benzofuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105048573
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923909
N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374532
N-[(7-chloro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105186991
[(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105339711
N-[(5-methyl-3-pyridinyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 113297212
N-[(7-chloro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114729059
N-[(3-chloro-2-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107102936
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
N-[(3-chloro-4-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374528
N-[(7-chloro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105048624
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine (CID 105187049) is N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(C)c1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is HHOGYXCICRVOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-3-20-16(13-7-11(2)9-19-10-13)15-8-12-5-4-6-14(18)17(12)21-15/h4-10,16,20H,3H2,1-2H3.
What are the key properties of N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 300.79 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105187049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).