(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride

C12H18ClNO — CID 171193047

IUPAC(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
SMILESCc1ccc([C@H]2COCCN2)cc1C.Cl
InChIInChI=1S/C12H17NO.ClH/c1-9-3-4-11(7-10(9)2)12-8-14-6-5-13-12;/h3-4,7,12-13H,5-6,8H2,1-2H3;1H/t12-;/m1./s1
InChIKeyKCIGSBZHHYPXFX-UTONKHPSSA-N
MW227.73 g/mol
LogP2.39
Rot. Bonds1

About (3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride

(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride (PubChem CID 171193047) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is (3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
PubChem CID171193047
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
SMILESCc1ccc([C@H]2COCCN2)cc1C.Cl
InChIInChI=1S/C12H17NO.ClH/c1-9-3-4-11(7-10(9)2)12-8-14-6-5-13-12;/h3-4,7,12-13H,5-6,8H2,1-2H3;1H/t12-;/m1./s1
InChIKeyKCIGSBZHHYPXFX-UTONKHPSSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3-iodo-4-methylphenyl)morpholine
CID 131084695
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
3-(3-methyl-4-nitrophenyl)morpholine
CID 130041687
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
3-(6-methylnaphthalen-2-yl)morpholine
CID 116963155
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
(3S)-3-(3-iodophenyl)morpholine;hydrochloride
CID 171193311
(3S)-3-(4-iodophenyl)morpholine
CID 130690924
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
3-(2-methyl-4-pyridinyl)morpholine
CID 55282770
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride?
The IUPAC name of (3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride (CID 171193047) is (3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride.
What is the SMILES notation for (3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride?
The canonical SMILES for (3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride is Cc1ccc([C@H]2COCCN2)cc1C.Cl.
What is the InChIKey of (3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride?
The InChIKey is KCIGSBZHHYPXFX-UTONKHPSSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-9-3-4-11(7-10(9)2)12-8-14-6-5-13-12;/h3-4,7,12-13H,5-6,8H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of (3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride?
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride has a molecular weight of 227.73 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride is sourced from PubChem (CID 171193047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).