[5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine

C17H26N2O — CID 117438845

IUPAC[5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(C2CC(CN)CN2C)c2c1CCCC2
InChIInChI=1S/C17H26N2O/c1-19-11-12(10-18)9-16(19)14-7-8-17(20-2)15-6-4-3-5-13(14)15/h7-8,12,16H,3-6,9-11,18H2,1-2H3
InChIKeyBKRGTRHOOAWHKW-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.53
Rot. Bonds3

About [5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117438845) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117438845
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(C2CC(CN)CN2C)c2c1CCCC2
InChIInChI=1S/C17H26N2O/c1-19-11-12(10-18)9-16(19)14-7-8-17(20-2)15-6-4-3-5-13(14)15/h7-8,12,16H,3-6,9-11,18H2,1-2H3
InChIKeyBKRGTRHOOAWHKW-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine with MolForge

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Related Compounds

[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117450281
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol
CID 117420119
[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341079
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117405533
[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415862
[5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117467828
[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117429310
[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117402429
[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117489816
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-4-fluoro-5-methoxyphenol
CID 117389235
[5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117446721

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117438845) is [5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine is COc1ccc(C2CC(CN)CN2C)c2c1CCCC2.
What is the InChIKey of [5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is BKRGTRHOOAWHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19-11-12(10-18)9-16(19)14-7-8-17(20-2)15-6-4-3-5-13(14)15/h7-8,12,16H,3-6,9-11,18H2,1-2H3.
What are the key properties of [5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117438845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).