2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C18H28N2O — CID 79230789

IUPAC2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(N1CC(C)CC(C)C1)CC2
InChIInChI=1S/C18H28N2O/c1-12-8-13(2)11-20(10-12)17-7-5-14-4-6-15(21-3)9-16(14)18(17)19/h4,6,9,12-13,17-18H,5,7-8,10-11,19H2,1-3H3
InChIKeyPCLGCGCKAJQKDA-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.99
Rot. Bonds2

About 2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79230789) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79230789
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(N1CC(C)CC(C)C1)CC2
InChIInChI=1S/C18H28N2O/c1-12-8-13(2)11-20(10-12)17-7-5-14-4-6-15(21-3)9-16(14)18(17)19/h4,6,9,12-13,17-18H,5,7-8,10-11,19H2,1-3H3
InChIKeyPCLGCGCKAJQKDA-UHFFFAOYSA-N
XLogP2.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115559637
7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234946
7-methoxy-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248446
2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234485
7-methoxy-2-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247673
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
2-(2,2-dimethylpyrrolidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247674
7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234962
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43184261
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115561358
7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247909

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79230789) is 2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(N)C(N1CC(C)CC(C)C1)CC2.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PCLGCGCKAJQKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-8-13(2)11-20(10-12)17-7-5-14-4-6-15(21-3)9-16(14)18(17)19/h4,6,9,12-13,17-18H,5,7-8,10-11,19H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 288.44 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79230789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).