[2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine

C18H28N2O — CID 115510740

IUPAC[2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCOc1ccc2c(c1)CC(CN)(N1CCC(C)(C)C1)CC2
InChIInChI=1S/C18H28N2O/c1-17(2)8-9-20(13-17)18(12-19)7-6-14-4-5-16(21-3)10-15(14)11-18/h4-5,10H,6-9,11-13,19H2,1-3H3
InChIKeyJSZNFBULUGPUFD-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.61
Rot. Bonds3

About [2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine

[2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine (PubChem CID 115510740) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is [2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine
PubChem CID115510740
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name[2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCOc1ccc2c(c1)CC(CN)(N1CCC(C)(C)C1)CC2
InChIInChI=1S/C18H28N2O/c1-17(2)8-9-20(13-17)18(12-19)7-6-14-4-5-16(21-3)10-15(14)11-18/h4-5,10H,6-9,11-13,19H2,1-3H3
InChIKeyJSZNFBULUGPUFD-UHFFFAOYSA-N
XLogP2.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 115510686
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
5-methoxy-2-methyl-1,3-dihydroinden-2-amine
CID 84717968
7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115511065
2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 115510716
2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 115510736
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
CID 23331357
2-(azepan-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 115511070
6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
CID 84620045
2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid
CID 83911976

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The IUPAC name of [2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine (CID 115510740) is [2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine.
What is the SMILES notation for [2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The canonical SMILES for [2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine is COc1ccc2c(c1)CC(CN)(N1CCC(C)(C)C1)CC2.
What is the InChIKey of [2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The InChIKey is JSZNFBULUGPUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2)8-9-20(13-17)18(12-19)7-6-14-4-5-16(21-3)10-15(14)11-18/h4-5,10H,6-9,11-13,19H2,1-3H3.
What are the key properties of [2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
[2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine is sourced from PubChem (CID 115510740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).