(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine

C15H21NO — CID 28500273

IUPAC(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESN[C@H](c1ccc2c(c1)CCO2)C1CCCCC1
InChIInChI=1S/C15H21NO/c16-15(11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-17-14/h6-7,10-11,15H,1-5,8-9,16H2/t15-/m0/s1
InChIKeyLQAQOULCBRBLKL-HNNXBMFYSA-N
MW231.34 g/mol
LogP3.20
Rot. Bonds2

About (S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine

(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 28500273) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID28500273
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESN[C@H](c1ccc2c(c1)CCO2)C1CCCCC1
InChIInChI=1S/C15H21NO/c16-15(11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-17-14/h6-7,10-11,15H,1-5,8-9,16H2/t15-/m0/s1
InChIKeyLQAQOULCBRBLKL-HNNXBMFYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430096
2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine
CID 115862636
1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
5-(1-bromo-2-cycloheptylethyl)-2,3-dihydro-1-benzofuran
CID 114458706
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82500531
(S)-1,3-benzodioxol-5-yl(cyclohexyl)methanamine;hydrochloride
CID 171236430
(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 171202488
cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 65018267

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 28500273) is (S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine is N[C@H](c1ccc2c(c1)CCO2)C1CCCCC1.
What is the InChIKey of (S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is LQAQOULCBRBLKL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO/c16-15(11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-17-14/h6-7,10-11,15H,1-5,8-9,16H2/t15-/m0/s1.
What are the key properties of (S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 231.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 28500273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).