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

C17H26N2O — CID 103975778

IUPAC1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
SMILESCOc1ccc2c(c1)C(N1CCC(C(C)N)C1)CCC2
InChIInChI=1S/C17H26N2O/c1-12(18)14-8-9-19(11-14)17-5-3-4-13-6-7-15(20-2)10-16(13)17/h6-7,10,12,14,17H,3-5,8-9,11,18H2,1-2H3
InChIKeyPRMPVZNJSUXDRJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.74
Rot. Bonds3

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

1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 103975778) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
PubChem CID103975778
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
SMILESCOc1ccc2c(c1)C(N1CCC(C(C)N)C1)CCC2
InChIInChI=1S/C17H26N2O/c1-12(18)14-8-9-19(11-14)17-5-3-4-13-6-7-15(20-2)10-16(13)17/h6-7,10,12,14,17H,3-5,8-9,11,18H2,1-2H3
InChIKeyPRMPVZNJSUXDRJ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 112630332
[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 79248149
2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine
CID 79234770
[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)morpholin-2-yl]methanamine
CID 114398008
(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-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
CID 113360675
(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
10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 23333695
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
CID 79368867
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975675

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine (CID 103975778) is 1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine is COc1ccc2c(c1)C(N1CCC(C(C)N)C1)CCC2.
What is the InChIKey of 1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is PRMPVZNJSUXDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(18)14-8-9-19(11-14)17-5-3-4-13-6-7-15(20-2)10-16(13)17/h6-7,10,12,14,17H,3-5,8-9,11,18H2,1-2H3.
What are the key properties of 1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine?
1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).