(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine

C16H24N2O — CID 93297932

IUPAC(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
SMILESC[C@H]1CCCN([C@@H](CN)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C16H24N2O/c1-12-3-2-7-18(11-12)15(10-17)13-4-5-16-14(9-13)6-8-19-16/h4-5,9,12,15H,2-3,6-8,10-11,17H2,1H3/t12-,15-/m0/s1
InChIKeyKTBRIIPUKAOJDI-WFASDCNBSA-N
MW260.38 g/mol
LogP2.35
Rot. Bonds3

About (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine

(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine (PubChem CID 93297932) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
PubChem CID93297932
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
SMILESC[C@H]1CCCN([C@@H](CN)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C16H24N2O/c1-12-3-2-7-18(11-12)15(10-17)13-4-5-16-14(9-13)6-8-19-16/h4-5,9,12,15H,2-3,6-8,10-11,17H2,1H3/t12-,15-/m0/s1
InChIKeyKTBRIIPUKAOJDI-WFASDCNBSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 93297931
2-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-ylethanamine
CID 43804461
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
(2S)-2-(5-bromo-3-pyridinyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 124845265
2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 63624247
2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61225182
[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 79137707
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 16641482
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545
2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55248238
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride
CID 171275729
N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 43804474

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
The IUPAC name of (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine (CID 93297932) is (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
The canonical SMILES for (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine is C[C@H]1CCCN([C@@H](CN)c2ccc3c(c2)CCO3)C1.
What is the InChIKey of (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
The InChIKey is KTBRIIPUKAOJDI-WFASDCNBSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-3-2-7-18(11-12)15(10-17)13-4-5-16-14(9-13)6-8-19-16/h4-5,9,12,15H,2-3,6-8,10-11,17H2,1H3/t12-,15-/m0/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine is sourced from PubChem (CID 93297932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).