[5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

C15H23ClN2O2 — CID 117481346

IUPAC[5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCOCc1cc(Cl)cc(OC)c1C1CC(CN)CN1C
InChIInChI=1S/C15H23ClN2O2/c1-18-8-10(7-17)4-13(18)15-11(9-19-2)5-12(16)6-14(15)20-3/h5-6,10,13H,4,7-9,17H2,1-3H3
InChIKeyVHGQYFDTUUCFNQ-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.45
Rot. Bonds5

About [5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

[5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117481346) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is [5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117481346
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name[5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCOCc1cc(Cl)cc(OC)c1C1CC(CN)CN1C
InChIInChI=1S/C15H23ClN2O2/c1-18-8-10(7-17)4-13(18)15-11(9-19-2)5-12(16)6-14(15)20-3/h5-6,10,13H,4,7-9,17H2,1-3H3
InChIKeyVHGQYFDTUUCFNQ-UHFFFAOYSA-N
XLogP2.45
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,5-dichloro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117467090
[5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117425636
[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117424729
[5-[2-bromo-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117498585
[5-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117490084
[5-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117453931
[5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117429058
[5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117481351
[5-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117487608
[5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117454718
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-4-fluoro-5-methoxybenzene-1,2-diol
CID 117429040
[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415862

Frequently Asked Questions

What is the IUPAC name of [5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117481346) is [5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is COCc1cc(Cl)cc(OC)c1C1CC(CN)CN1C.
What is the InChIKey of [5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is VHGQYFDTUUCFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-18-8-10(7-17)4-13(18)15-11(9-19-2)5-12(16)6-14(15)20-3/h5-6,10,13H,4,7-9,17H2,1-3H3.
What are the key properties of [5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 298.81 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117481346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).