2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane

C32H37NO — CID 158187299

IUPAC2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane
SMILESCCC.NCCC1CCc2cc(OCc3ccc(-c4ccc5ccccc5c4)cc3)ccc2C1
InChIInChI=1S/C29H29NO.C3H8/c30-16-15-21-5-10-28-19-29(14-13-26(28)17-21)31-20-22-6-8-24(9-7-22)27-12-11-23-3-1-2-4-25(23)18-27;1-3-2/h1-4,6-9,11-14,18-19,21H,5,10,15-17,20,30H2;3H2,1-2H3
InChIKeyFZHLNCVGBRBOGD-UHFFFAOYSA-N
MW451.65 g/mol
LogP7.96
Rot. Bonds6

About 2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane

2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane (PubChem CID 158187299) has the molecular formula C32H37NO and a molecular weight of 451.65 g/mol. Its IUPAC name is 2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane.

Molecular Properties

Compound Name2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane
PubChem CID158187299
Molecular FormulaC32H37NO
Molecular Weight451.65 g/mol
Exact Mass451.29
IUPAC Name2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane
SMILESCCC.NCCC1CCc2cc(OCc3ccc(-c4ccc5ccccc5c4)cc3)ccc2C1
InChIInChI=1S/C29H29NO.C3H8/c30-16-15-21-5-10-28-19-29(14-13-26(28)17-21)31-20-22-6-8-24(9-7-22)27-12-11-23-3-1-2-4-25(23)18-27;1-3-2/h1-4,6-9,11-14,18-19,21H,5,10,15-17,20,30H2;3H2,1-2H3
InChIKeyFZHLNCVGBRBOGD-UHFFFAOYSA-N
XLogP7.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.65
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-[[4-(1,3-benzodioxol-5-yl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane
CID 158666821
hydroxy-dimethyl-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]azanium
CID 91416199
propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 157495481
N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine
CID 18361489
N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 18361491
N,N,N'-trimethyl-N'-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]ethane-1,2-diamine;dihydrochloride
CID 18361575
[6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 20700046
[3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol
CID 59091076
2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
CID 18361484
2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500384
2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853661
2-hexyl-6-(4-pentoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500404

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane?
The IUPAC name of 2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane (CID 158187299) is 2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane.
What is the SMILES notation for 2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane?
The canonical SMILES for 2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane is CCC.NCCC1CCc2cc(OCc3ccc(-c4ccc5ccccc5c4)cc3)ccc2C1.
What is the InChIKey of 2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane?
The InChIKey is FZHLNCVGBRBOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO.C3H8/c30-16-15-21-5-10-28-19-29(14-13-26(28)17-21)31-20-22-6-8-24(9-7-22)27-12-11-23-3-1-2-4-25(23)18-27;1-3-2/h1-4,6-9,11-14,18-19,21H,5,10,15-17,20,30H2;3H2,1-2H3.
What are the key properties of 2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane?
2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane has a molecular weight of 451.65 g/mol, XLogP of 7.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane is sourced from PubChem (CID 158187299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).