[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine

C17H22N2O — CID 117429310

IUPAC[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc2ccccc2c1C1CC(CN)CN1C
InChIInChI=1S/C17H22N2O/c1-19-11-12(10-18)9-15(19)17-14-6-4-3-5-13(14)7-8-16(17)20-2/h3-8,12,15H,9-11,18H2,1-2H3
InChIKeyLFBGHOMGZBNEJL-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.80
Rot. Bonds3

About [5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117429310) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117429310
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc2ccccc2c1C1CC(CN)CN1C
InChIInChI=1S/C17H22N2O/c1-19-11-12(10-18)9-15(19)17-14-6-4-3-5-13(14)7-8-16(17)20-2/h3-8,12,15H,9-11,18H2,1-2H3
InChIKeyLFBGHOMGZBNEJL-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415862
[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117450281
[5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117438845
6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol
CID 117420119
[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341079
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
[5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117446721
[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117402429
[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117424729
[5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117117089
[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117489816
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,4-difluoro-5-methoxyphenol
CID 117433437

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117429310) is [5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine is COc1ccc2ccccc2c1C1CC(CN)CN1C.
What is the InChIKey of [5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is LFBGHOMGZBNEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19-11-12(10-18)9-15(19)17-14-6-4-3-5-13(14)7-8-16(17)20-2/h3-8,12,15H,9-11,18H2,1-2H3.
What are the key properties of [5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117429310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).