N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine

C17H26N2O — CID 115510861

IUPACN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine
SMILESCCCN(C1CNC1)C1CCc2ccc(OC)cc2C1
InChIInChI=1S/C17H26N2O/c1-3-8-19(16-11-18-12-16)15-6-4-13-5-7-17(20-2)10-14(13)9-15/h5,7,10,15-16,18H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyWFYDOJXKPJDLTK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.24
Rot. Bonds5

About N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine

N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine (PubChem CID 115510861) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine
PubChem CID115510861
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine
SMILESCCCN(C1CNC1)C1CCc2ccc(OC)cc2C1
InChIInChI=1S/C17H26N2O/c1-3-8-19(16-11-18-12-16)15-6-4-13-5-7-17(20-2)10-14(13)9-15/h5,7,10,15-16,18H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyWFYDOJXKPJDLTK-UHFFFAOYSA-N
XLogP2.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide
CID 69361135
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide
CID 45139976
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511160
7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22560624
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]butanoic acid
CID 115511176
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171
(2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125486652
N-ethyl-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 23397076
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-methylpropanoic acid
CID 115511164
(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride
CID 11299819
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11675797

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine?
The IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine (CID 115510861) is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine.
What is the SMILES notation for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine?
The canonical SMILES for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine is CCCN(C1CNC1)C1CCc2ccc(OC)cc2C1.
What is the InChIKey of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine?
The InChIKey is WFYDOJXKPJDLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-8-19(16-11-18-12-16)15-6-4-13-5-7-17(20-2)10-14(13)9-15/h5,7,10,15-16,18H,3-4,6,8-9,11-12H2,1-2H3.
What are the key properties of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine?
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine is sourced from PubChem (CID 115510861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).