2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine

C18H28N2O — CID 79234770

IUPAC2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine
SMILESCOc1ccc2c(c1)C(N1CCCC(CCN)C1)CCC2
InChIInChI=1S/C18H28N2O/c1-21-16-8-7-15-5-2-6-18(17(15)12-16)20-11-3-4-14(13-20)9-10-19/h7-8,12,14,18H,2-6,9-11,13,19H2,1H3
InChIKeyUNOUTMRFRBZDEH-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.13
Rot. Bonds4

About 2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine

2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine (PubChem CID 79234770) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine
PubChem CID79234770
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine
SMILESCOc1ccc2c(c1)C(N1CCCC(CCN)C1)CCC2
InChIInChI=1S/C18H28N2O/c1-21-16-8-7-15-5-2-6-18(17(15)12-16)20-11-3-4-14(13-20)9-10-19/h7-8,12,14,18H,2-6,9-11,13,19H2,1H3
InChIKeyUNOUTMRFRBZDEH-UHFFFAOYSA-N
XLogP3.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 79248149
2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728467
[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)morpholin-2-yl]methanamine
CID 114398008
1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 103975778
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine
CID 90811726
(4aS,7aS)-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678980
[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine
CID 80504502
2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid
CID 65069242
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane
CID 91603209
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine (CID 79234770) is 2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine is COc1ccc2c(c1)C(N1CCCC(CCN)C1)CCC2.
What is the InChIKey of 2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine?
The InChIKey is UNOUTMRFRBZDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-21-16-8-7-15-5-2-6-18(17(15)12-16)20-11-3-4-14(13-20)9-10-19/h7-8,12,14,18H,2-6,9-11,13,19H2,1H3.
What are the key properties of 2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine?
2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine has a molecular weight of 288.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 79234770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).