(5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine

C14H13ClN2O — CID 104542750

IUPAC(5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2O/c15-11-2-3-12(17-8-11)14(16)10-1-4-13-9(7-10)5-6-18-13/h1-4,7-8,14H,5-6,16H2
InChIKeyLPLLIPYYTCUWKG-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.72
Rot. Bonds2

About (5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine

(5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 104542750) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID104542750
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name(5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2O/c15-11-2-3-12(17-8-11)14(16)10-1-4-13-9(7-10)5-6-18-13/h1-4,7-8,14H,5-6,16H2
InChIKeyLPLLIPYYTCUWKG-UHFFFAOYSA-N
XLogP2.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105180243
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine
CID 115604905
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
CID 171202497
2,3-dihydro-1-benzofuran-5-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 104542596
[(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105253191
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 105006924
[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 116937080
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methanamine
CID 43464379

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 104542750) is (5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine is NC(c1ccc2c(c1)CCO2)c1ccc(Cl)cn1.
What is the InChIKey of (5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is LPLLIPYYTCUWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-11-2-3-12(17-8-11)14(16)10-1-4-13-9(7-10)5-6-18-13/h1-4,7-8,14H,5-6,16H2.
What are the key properties of (5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
(5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 260.72 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 104542750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).