2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine

C26H31NO2 — CID 123816492

IUPAC2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine
SMILESCOc1ccc2c(c1)C(CCNCCC1=CCCc3ccc(OC)cc31)=CCC2
InChIInChI=1S/C26H31NO2/c1-28-23-11-9-19-5-3-7-21(25(19)17-23)13-15-27-16-14-22-8-4-6-20-10-12-24(29-2)18-26(20)22/h7-12,17-18,27H,3-6,13-16H2,1-2H3
InChIKeyTWVHOAHXTAUOAX-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.43
Rot. Bonds8

About 2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine

2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine (PubChem CID 123816492) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine
PubChem CID123816492
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine
SMILESCOc1ccc2c(c1)C(CCNCCC1=CCCc3ccc(OC)cc31)=CCC2
InChIInChI=1S/C26H31NO2/c1-28-23-11-9-19-5-3-7-21(25(19)17-23)13-15-27-16-14-22-8-4-6-20-10-12-24(29-2)18-26(20)22/h7-12,17-18,27H,3-6,13-16H2,1-2H3
InChIKeyTWVHOAHXTAUOAX-UHFFFAOYSA-N
XLogP5.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine
CID 20646559
7-methoxy-3,4-dihydronaphthalene-1-carbonitrile
CID 11521201
[8-(2-acetamidoethyl)-5,6-dihydronaphthalen-2-yl] tert-butyl carbonate
CID 118982153
5-(6-methoxy-3H-inden-1-yl)pentan-2-one
CID 158347332
4-[2-(4-fluorophenyl)ethyl]-7-methoxy-1,2-dihydronaphthalene
CID 172732247
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
2-hydroxy-3-methoxy-N-[2-(6-methoxy-3H-inden-1-yl)ethyl]benzamide
CID 154874265
(7-methoxy-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
CID 11243752
4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride
CID 139664606
6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene
CID 58612274
6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
CID 13275745
(E)-8-(6-methoxy-3,4-dihydronaphthalen-1-yl)oct-5-enenitrile
CID 10802790

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine?
The IUPAC name of 2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine (CID 123816492) is 2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine?
The canonical SMILES for 2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine is COc1ccc2c(c1)C(CCNCCC1=CCCc3ccc(OC)cc31)=CCC2.
What is the InChIKey of 2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine?
The InChIKey is TWVHOAHXTAUOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-28-23-11-9-19-5-3-7-21(25(19)17-23)13-15-27-16-14-22-8-4-6-20-10-12-24(29-2)18-26(20)22/h7-12,17-18,27H,3-6,13-16H2,1-2H3.
What are the key properties of 2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine?
2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine has a molecular weight of 389.54 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine is sourced from PubChem (CID 123816492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).