(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine

C13H17Cl2NO — CID 99930436

IUPAC(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H17Cl2NO/c1-17-9-10-5-6-16(7-10)8-11-3-2-4-12(14)13(11)15/h2-4,10H,5-9H2,1H3/t10-/m0/s1
InChIKeyTUSBWMJVERWICH-JTQLQIEISA-N
MW274.19 g/mol
LogP3.46
Rot. Bonds4

About (3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine

(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine (PubChem CID 99930436) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is (3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
PubChem CID99930436
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H17Cl2NO/c1-17-9-10-5-6-16(7-10)8-11-3-2-4-12(14)13(11)15/h2-4,10H,5-9H2,1H3/t10-/m0/s1
InChIKeyTUSBWMJVERWICH-JTQLQIEISA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
CID 107309985
(3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine
CID 133133036
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 64583192
1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879944
tert-butyl N-[[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]carbamate
CID 22115371
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543
4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107310040
2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol
CID 113346057
3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107309973
3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64570103
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine?
The IUPAC name of (3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine (CID 99930436) is (3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine?
The canonical SMILES for (3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine is COC[C@H]1CCN(Cc2cccc(Cl)c2Cl)C1.
What is the InChIKey of (3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine?
The InChIKey is TUSBWMJVERWICH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-17-9-10-5-6-16(7-10)8-11-3-2-4-12(14)13(11)15/h2-4,10H,5-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine?
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine has a molecular weight of 274.19 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 99930436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).