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

C16H24N2O — CID 79248149

IUPAC[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
SMILESCOc1ccc2c(c1)C(N1CCC(CN)C1)CCC2
InChIInChI=1S/C16H24N2O/c1-19-14-6-5-13-3-2-4-16(15(13)9-14)18-8-7-12(10-17)11-18/h5-6,9,12,16H,2-4,7-8,10-11,17H2,1H3
InChIKeyZOBWBSYSSDWJHW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.35
Rot. Bonds3

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

[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine (PubChem CID 79248149) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
PubChem CID79248149
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
SMILESCOc1ccc2c(c1)C(N1CCC(CN)C1)CCC2
InChIInChI=1S/C16H24N2O/c1-19-14-6-5-13-3-2-4-16(15(13)9-14)18-8-7-12(10-17)11-18/h5-6,9,12,16H,2-4,7-8,10-11,17H2,1H3
InChIKeyZOBWBSYSSDWJHW-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 103975778
[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine
CID 80504502
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
(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
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid
CID 65069242
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500
(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
ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine
CID 90811726

Frequently Asked Questions

What is the IUPAC name of [1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine (CID 79248149) is [1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine is COc1ccc2c(c1)C(N1CCC(CN)C1)CCC2.
What is the InChIKey of [1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is ZOBWBSYSSDWJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-14-6-5-13-3-2-4-16(15(13)9-14)18-8-7-12(10-17)11-18/h5-6,9,12,16H,2-4,7-8,10-11,17H2,1H3.
What are the key properties of [1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine?
[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 79248149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).