(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride

C12H16ClNO2 — CID 171193100

IUPAC(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride
SMILESCl.c1cc2c(cc1[C@H]1COCCN1)CCO2
InChIInChI=1S/C12H15NO2.ClH/c1-2-12-10(3-5-15-12)7-9(1)11-8-14-6-4-13-11;/h1-2,7,11,13H,3-6,8H2;1H/t11-;/m1./s1
InChIKeyNRTQXMUDCBENSD-RFVHGSKJSA-N
MW241.72 g/mol
LogP1.70
Rot. Bonds1

About (3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride

(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride (PubChem CID 171193100) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride
PubChem CID171193100
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride
SMILESCl.c1cc2c(cc1[C@H]1COCCN1)CCO2
InChIInChI=1S/C12H15NO2.ClH/c1-2-12-10(3-5-15-12)7-9(1)11-8-14-6-4-13-11;/h1-2,7,11,13H,3-6,8H2;1H/t11-;/m1./s1
InChIKeyNRTQXMUDCBENSD-RFVHGSKJSA-N
XLogP1.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 96765724
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
(3S)-3-(9H-fluoren-2-yl)morpholine
CID 171193402
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine
CID 76936947
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine
CID 129367473
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine
CID 115238964
3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride?
The IUPAC name of (3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride (CID 171193100) is (3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride.
What is the SMILES notation for (3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride?
The canonical SMILES for (3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride is Cl.c1cc2c(cc1[C@H]1COCCN1)CCO2.
What is the InChIKey of (3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride?
The InChIKey is NRTQXMUDCBENSD-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-2-12-10(3-5-15-12)7-9(1)11-8-14-6-4-13-11;/h1-2,7,11,13H,3-6,8H2;1H/t11-;/m1./s1.
What are the key properties of (3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride?
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride is sourced from PubChem (CID 171193100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).