(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine

C14H18ClNO2 — CID 113425437

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine
SMILESNC(c1cc(Cl)cc2c1OCC2)C1CCCCO1
InChIInChI=1S/C14H18ClNO2/c15-10-7-9-4-6-18-14(9)11(8-10)13(16)12-3-1-2-5-17-12/h7-8,12-13H,1-6,16H2
InChIKeyXFYNRGCRFWGDMS-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.84
Rot. Bonds2

About (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine (PubChem CID 113425437) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine
PubChem CID113425437
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine
SMILESNC(c1cc(Cl)cc2c1OCC2)C1CCCCO1
InChIInChI=1S/C14H18ClNO2/c15-10-7-9-4-6-18-14(9)11(8-10)13(16)12-3-1-2-5-17-12/h7-8,12-13H,1-6,16H2
InChIKeyXFYNRGCRFWGDMS-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[bromo(oxan-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104543959
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol
CID 115830818
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
CID 113403553
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-2-yl)ethanol
CID 104543084
7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544090
7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544096
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
CID 105031505
(2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine
CID 105397026
7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 103166034
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine
CID 104545363
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)ethanamine
CID 105031399
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone
CID 104544537

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine (CID 113425437) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine is NC(c1cc(Cl)cc2c1OCC2)C1CCCCO1.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine?
The InChIKey is XFYNRGCRFWGDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-10-7-9-4-6-18-14(9)11(8-10)13(16)12-3-1-2-5-17-12/h7-8,12-13H,1-6,16H2.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine has a molecular weight of 267.76 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine is sourced from PubChem (CID 113425437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).