methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate

C25H33NO3 — CID 13393056

IUPACmethyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCCCN(CCC)C1CCc2c(ccc(OCc3ccccc3)c2C(=O)OC)C1
InChIInChI=1S/C25H33NO3/c1-4-15-26(16-5-2)21-12-13-22-20(17-21)11-14-23(24(22)25(27)28-3)29-18-19-9-7-6-8-10-19/h6-11,14,21H,4-5,12-13,15-18H2,1-3H3
InChIKeyFMUHPWHWYVRGSW-UHFFFAOYSA-N
MW395.54 g/mol
LogP5.03
Rot. Bonds9

About methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate

methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate (PubChem CID 13393056) has the molecular formula C25H33NO3 and a molecular weight of 395.54 g/mol. Its IUPAC name is methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate
PubChem CID13393056
Molecular FormulaC25H33NO3
Molecular Weight395.54 g/mol
Exact Mass395.25
IUPAC Namemethyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCCCN(CCC)C1CCc2c(ccc(OCc3ccccc3)c2C(=O)OC)C1
InChIInChI=1S/C25H33NO3/c1-4-15-26(16-5-2)21-12-13-22-20(17-21)11-14-23(24(22)25(27)28-3)29-18-19-9-7-6-8-10-19/h6-11,14,21H,4-5,12-13,15-18H2,1-3H3
InChIKeyFMUHPWHWYVRGSW-UHFFFAOYSA-N
XLogP5.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.54
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,4S)-4-acetyloxy-6-[[(6S)-6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]oxane-2-carboxylate
CID 155333305
(2S)-6-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-4-hydroxyoxane-2-carboxylic acid
CID 155724601
(2S,4S)-6-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-4-hydroxyoxane-2-carboxylic acid
CID 155724607
2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol
CID 155724659
6-[[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]-6-oxohexanoic acid
CID 22906000
5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12581206
(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10063953
N'-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]-N'-propylhexane-1,6-diamine;trihydrochloride
CID 18707440
5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
CID 90668689
6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid
CID 23224897
6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 13186869
methyl 6-(tert-butylamino)-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
CID 21425625

Frequently Asked Questions

What is the IUPAC name of methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate (CID 13393056) is methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate is CCCN(CCC)C1CCc2c(ccc(OCc3ccccc3)c2C(=O)OC)C1.
What is the InChIKey of methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The InChIKey is FMUHPWHWYVRGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO3/c1-4-15-26(16-5-2)21-12-13-22-20(17-21)11-14-23(24(22)25(27)28-3)29-18-19-9-7-6-8-10-19/h6-11,14,21H,4-5,12-13,15-18H2,1-3H3.
What are the key properties of methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate has a molecular weight of 395.54 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 13393056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).