[4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine

C26H30N2O2 — CID 66626932

IUPAC[4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine
SMILESCCc1ccnc(CN)c1-c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1
InChIInChI=1S/C26H30N2O2/c1-4-17-11-12-28-25(16-27)26(17)24-15-22(30-3)9-10-23(24)20-6-5-19-14-21(29-2)8-7-18(19)13-20/h7-12,14-15,20H,4-6,13,16,27H2,1-3H3
InChIKeyZKZMEEZHUVHIPM-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.06
Rot. Bonds6

About [4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine

[4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine (PubChem CID 66626932) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is [4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine
PubChem CID66626932
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name[4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine
SMILESCCc1ccnc(CN)c1-c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1
InChIInChI=1S/C26H30N2O2/c1-4-17-11-12-28-25(16-27)26(17)24-15-22(30-3)9-10-23(24)20-6-5-19-14-21(29-2)8-7-18(19)13-20/h7-12,14-15,20H,4-6,13,16,27H2,1-3H3
InChIKeyZKZMEEZHUVHIPM-UHFFFAOYSA-N
XLogP5.06
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine with MolForge

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Related Compounds

6-methoxy-2-(4-methoxy-2-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 58035843
N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline
CID 66626931
(2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene
CID 178068546
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline
CID 23087188
2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline
CID 178068998
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 66627111
[6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
CID 58035883
N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline
CID 164775901
N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline
CID 177365057
3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one
CID 135058930
N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methoxyphenyl]acetamide
CID 154681620

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine (CID 66626932) is [4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine is CCc1ccnc(CN)c1-c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1.
What is the InChIKey of [4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine?
The InChIKey is ZKZMEEZHUVHIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-4-17-11-12-28-25(16-27)26(17)24-15-22(30-3)9-10-23(24)20-6-5-19-14-21(29-2)8-7-18(19)13-20/h7-12,14-15,20H,4-6,13,16,27H2,1-3H3.
What are the key properties of [4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine?
[4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine has a molecular weight of 402.54 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 66626932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).