(3R)-3-(3-iodo-4-methylphenyl)morpholine

C11H14INO — CID 131084695

IUPAC(3R)-3-(3-iodo-4-methylphenyl)morpholine
SMILESCc1ccc([C@@H]2COCCN2)cc1I
InChIInChI=1S/C11H14INO/c1-8-2-3-9(6-10(8)12)11-7-14-5-4-13-11/h2-3,6,11,13H,4-5,7H2,1H3/t11-/m0/s1
InChIKeyGHTXQKYADUGVJQ-NSHDSACASA-N
MW303.14 g/mol
LogP2.26
Rot. Bonds1

About (3R)-3-(3-iodo-4-methylphenyl)morpholine

(3R)-3-(3-iodo-4-methylphenyl)morpholine (PubChem CID 131084695) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is (3R)-3-(3-iodo-4-methylphenyl)morpholine.

Molecular Properties

Compound Name(3R)-3-(3-iodo-4-methylphenyl)morpholine
PubChem CID131084695
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name(3R)-3-(3-iodo-4-methylphenyl)morpholine
SMILESCc1ccc([C@@H]2COCCN2)cc1I
InChIInChI=1S/C11H14INO/c1-8-2-3-9(6-10(8)12)11-7-14-5-4-13-11/h2-3,6,11,13H,4-5,7H2,1H3/t11-/m0/s1
InChIKeyGHTXQKYADUGVJQ-NSHDSACASA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.26
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

(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
(3S)-3-(4-iodophenyl)morpholine
CID 130690924
(3S)-3-(3-iodophenyl)morpholine;hydrochloride
CID 171193311
3-(6-methylnaphthalen-2-yl)morpholine
CID 116963155
3-(2-methyl-4-pyridinyl)morpholine
CID 55282770
3-(3-methyl-4-nitrophenyl)morpholine
CID 130041687
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
4-[(3R)-morpholin-3-yl]benzenethiol
CID 130654195
3-(3-piperidin-4-ylphenyl)morpholine
CID 116988949

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-iodo-4-methylphenyl)morpholine?
The IUPAC name of (3R)-3-(3-iodo-4-methylphenyl)morpholine (CID 131084695) is (3R)-3-(3-iodo-4-methylphenyl)morpholine.
What is the SMILES notation for (3R)-3-(3-iodo-4-methylphenyl)morpholine?
The canonical SMILES for (3R)-3-(3-iodo-4-methylphenyl)morpholine is Cc1ccc([C@@H]2COCCN2)cc1I.
What is the InChIKey of (3R)-3-(3-iodo-4-methylphenyl)morpholine?
The InChIKey is GHTXQKYADUGVJQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H14INO/c1-8-2-3-9(6-10(8)12)11-7-14-5-4-13-11/h2-3,6,11,13H,4-5,7H2,1H3/t11-/m0/s1.
What are the key properties of (3R)-3-(3-iodo-4-methylphenyl)morpholine?
(3R)-3-(3-iodo-4-methylphenyl)morpholine has a molecular weight of 303.14 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-iodo-4-methylphenyl)morpholine is sourced from PubChem (CID 131084695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).