(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine

C12H16ClNO2 — CID 28750046

IUPAC(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
SMILESCOc1ccc(OC[C@@H]2CCCN2)c(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-15-10-4-5-12(11(13)7-10)16-8-9-3-2-6-14-9/h4-5,7,9,14H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyQVULZFALPMTXLY-VIFPVBQESA-N
MW241.72 g/mol
LogP2.48
Rot. Bonds4

About (2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine

(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine (PubChem CID 28750046) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
PubChem CID28750046
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
SMILESCOc1ccc(OC[C@@H]2CCCN2)c(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-15-10-4-5-12(11(13)7-10)16-8-9-3-2-6-14-9/h4-5,7,9,14H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyQVULZFALPMTXLY-VIFPVBQESA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine
CID 102820051
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
CID 117418728
2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine
CID 117392683
3-chloro-4-methoxy-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 156847857
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
(2S)-2-[(5-bromo-2-methylphenoxy)methyl]pyrrolidine
CID 107284582

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine?
The IUPAC name of (2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine (CID 28750046) is (2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine is COc1ccc(OC[C@@H]2CCCN2)c(Cl)c1.
What is the InChIKey of (2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine?
The InChIKey is QVULZFALPMTXLY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-15-10-4-5-12(11(13)7-10)16-8-9-3-2-6-14-9/h4-5,7,9,14H,2-3,6,8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine?
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine has a molecular weight of 241.72 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine is sourced from PubChem (CID 28750046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).