(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine

C11H14ClNO — CID 86314613

IUPAC(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
SMILESCc1cc(O[C@H]2CCNC2)ccc1Cl
InChIInChI=1S/C11H14ClNO/c1-8-6-9(2-3-11(8)12)14-10-4-5-13-7-10/h2-3,6,10,13H,4-5,7H2,1H3/t10-/m0/s1
InChIKeyTWOMUHKBTKCBIY-JTQLQIEISA-N
MW211.69 g/mol
LogP2.39
Rot. Bonds2

About (3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine

(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine (PubChem CID 86314613) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
PubChem CID86314613
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
SMILESCc1cc(O[C@H]2CCNC2)ccc1Cl
InChIInChI=1S/C11H14ClNO/c1-8-6-9(2-3-11(8)12)14-10-4-5-13-7-10/h2-3,6,10,13H,4-5,7H2,1H3/t10-/m0/s1
InChIKeyTWOMUHKBTKCBIY-JTQLQIEISA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenoxy)pyrrolidine
CID 18337173
(3R)-3-(3,4-dimethylphenoxy)piperidine
CID 26191417
3-(2-chloro-5-methoxyphenoxy)pyrrolidine
CID 84691503
4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine
CID 69260286
(3S)-3-(3,5-dimethylphenoxy)pyrrolidine
CID 26192104
3-(3-methylphenoxy)pyrrolidine
CID 18337170
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3,5-dimethylphenoxy)pyrrolidine;hydrochloride
CID 46735722
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342
2-chloro-4-pyrrolidin-3-yloxybenzamide
CID 62945417
3-(4-methyl-3-nitrophenoxy)pyrrolidine
CID 62911830
(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 26192167

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine?
The IUPAC name of (3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine (CID 86314613) is (3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine.
What is the SMILES notation for (3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine?
The canonical SMILES for (3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine is Cc1cc(O[C@H]2CCNC2)ccc1Cl.
What is the InChIKey of (3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine?
The InChIKey is TWOMUHKBTKCBIY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-6-9(2-3-11(8)12)14-10-4-5-13-7-10/h2-3,6,10,13H,4-5,7H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine?
(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine has a molecular weight of 211.69 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine is sourced from PubChem (CID 86314613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).