[5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

C14H21ClN2O — CID 117425636

IUPAC[5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCOCc1cccc(Cl)c1C1CC(CN)CN1C
InChIInChI=1S/C14H21ClN2O/c1-17-8-10(7-16)6-13(17)14-11(9-18-2)4-3-5-12(14)15/h3-5,10,13H,6-9,16H2,1-2H3
InChIKeyXQPJPOQREPYPJL-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.44
Rot. Bonds4

About [5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

[5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117425636) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117425636
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCOCc1cccc(Cl)c1C1CC(CN)CN1C
InChIInChI=1S/C14H21ClN2O/c1-17-8-10(7-16)6-13(17)14-11(9-18-2)4-3-5-12(14)15/h3-5,10,13H,6-9,16H2,1-2H3
InChIKeyXQPJPOQREPYPJL-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[2-bromo-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117498585
[5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117429058
[5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117481346
[5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117487635
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol
CID 117354250
[5-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1-methylpyrrolidin-3-yl]methanamine
CID 117472234
[5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117341076
[5-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117490084
[5-(5-chloro-1,3-benzodioxol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117425247
[5-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117475479
[5-(2,5-dichloro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117467090
[5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117384325

Frequently Asked Questions

What is the IUPAC name of [5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117425636) is [5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is COCc1cccc(Cl)c1C1CC(CN)CN1C.
What is the InChIKey of [5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is XQPJPOQREPYPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17-8-10(7-16)6-13(17)14-11(9-18-2)4-3-5-12(14)15/h3-5,10,13H,6-9,16H2,1-2H3.
What are the key properties of [5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 268.79 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117425636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).