(2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine

C16H24ClNO3 — CID 99943979

IUPAC(2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine
SMILESCCOC[C@H]1CCCN1Cc1cc(Cl)cc(OC)c1OC
InChIInChI=1S/C16H24ClNO3/c1-4-21-11-14-6-5-7-18(14)10-12-8-13(17)9-15(19-2)16(12)20-3/h8-9,14H,4-7,10-11H2,1-3H3/t14-/m1/s1
InChIKeyWLMGKJKBCMYFGG-CQSZACIVSA-N
MW313.82 g/mol
LogP3.36
Rot. Bonds7

About (2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine

(2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine (PubChem CID 99943979) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is (2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine
PubChem CID99943979
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name(2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine
SMILESCCOC[C@H]1CCCN1Cc1cc(Cl)cc(OC)c1OC
InChIInChI=1S/C16H24ClNO3/c1-4-21-11-14-6-5-7-18(14)10-12-8-13(17)9-15(19-2)16(12)20-3/h8-9,14H,4-7,10-11H2,1-3H3/t14-/m1/s1
InChIKeyWLMGKJKBCMYFGG-CQSZACIVSA-N
XLogP3.36
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62581996
2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371710
2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol
CID 45184666
4-chloro-2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6-methoxyphenol
CID 104645968
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine
CID 77096973
(3S,8aS)-2-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137342357
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine
CID 157017128
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17213687
4-chloro-2-[(2-ethylpyrrolidin-1-yl)methyl]phenol
CID 82982483
2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 124906833

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine?
The IUPAC name of (2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine (CID 99943979) is (2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine.
What is the SMILES notation for (2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine?
The canonical SMILES for (2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine is CCOC[C@H]1CCCN1Cc1cc(Cl)cc(OC)c1OC.
What is the InChIKey of (2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine?
The InChIKey is WLMGKJKBCMYFGG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-4-21-11-14-6-5-7-18(14)10-12-8-13(17)9-15(19-2)16(12)20-3/h8-9,14H,4-7,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine?
(2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine has a molecular weight of 313.82 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine is sourced from PubChem (CID 99943979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).