(3S)-3-(3-iodophenyl)morpholine;hydrochloride

C10H13ClINO — CID 171193311

IUPAC(3S)-3-(3-iodophenyl)morpholine;hydrochloride
SMILESCl.Ic1cccc([C@H]2COCCN2)c1
InChIInChI=1S/C10H12INO.ClH/c11-9-3-1-2-8(6-9)10-7-13-5-4-12-10;/h1-3,6,10,12H,4-5,7H2;1H/t10-;/m1./s1
InChIKeyVXGXIJJYXLDURU-HNCPQSOCSA-N
MW325.58 g/mol
LogP2.37
Rot. Bonds1

About (3S)-3-(3-iodophenyl)morpholine;hydrochloride

(3S)-3-(3-iodophenyl)morpholine;hydrochloride (PubChem CID 171193311) has the molecular formula C10H13ClINO and a molecular weight of 325.58 g/mol. Its IUPAC name is (3S)-3-(3-iodophenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(3-iodophenyl)morpholine;hydrochloride
PubChem CID171193311
Molecular FormulaC10H13ClINO
Molecular Weight325.58 g/mol
Exact Mass324.97
IUPAC Name(3S)-3-(3-iodophenyl)morpholine;hydrochloride
SMILESCl.Ic1cccc([C@H]2COCCN2)c1
InChIInChI=1S/C10H12INO.ClH/c11-9-3-1-2-8(6-9)10-7-13-5-4-12-10;/h1-3,6,10,12H,4-5,7H2;1H/t10-;/m1./s1
InChIKeyVXGXIJJYXLDURU-HNCPQSOCSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.58
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777
(3S)-3-(4-iodophenyl)morpholine
CID 130690924
3-(3-piperidin-4-ylphenyl)morpholine
CID 116988949
(3R)-3-(3-iodo-4-methylphenyl)morpholine
CID 131084695
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281
2-(3-iodophenyl)pyrrolidine;hydrochloride
CID 154803675
(2R)-2-(3-iodophenyl)piperidine
CID 7048045
(3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride
CID 171192722
(3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193334
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
(3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride
CID 171192618

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-iodophenyl)morpholine;hydrochloride?
The IUPAC name of (3S)-3-(3-iodophenyl)morpholine;hydrochloride (CID 171193311) is (3S)-3-(3-iodophenyl)morpholine;hydrochloride.
What is the SMILES notation for (3S)-3-(3-iodophenyl)morpholine;hydrochloride?
The canonical SMILES for (3S)-3-(3-iodophenyl)morpholine;hydrochloride is Cl.Ic1cccc([C@H]2COCCN2)c1.
What is the InChIKey of (3S)-3-(3-iodophenyl)morpholine;hydrochloride?
The InChIKey is VXGXIJJYXLDURU-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H12INO.ClH/c11-9-3-1-2-8(6-9)10-7-13-5-4-12-10;/h1-3,6,10,12H,4-5,7H2;1H/t10-;/m1./s1.
What are the key properties of (3S)-3-(3-iodophenyl)morpholine;hydrochloride?
(3S)-3-(3-iodophenyl)morpholine;hydrochloride has a molecular weight of 325.58 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-iodophenyl)morpholine;hydrochloride is sourced from PubChem (CID 171193311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).