(6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

C28H43N3O — CID 57043489

IUPAC(6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCCCCCNCCc1ccccc1)[C@@H]1CCc2cc(O)c(NC)cc2C1
InChIInChI=1S/C28H43N3O/c1-3-18-31(26-14-13-24-22-28(32)27(29-2)21-25(24)20-26)19-10-5-4-9-16-30-17-15-23-11-7-6-8-12-23/h6-8,11-12,21-22,26,29-30,32H,3-5,9-10,13-20H2,1-2H3/t26-/m1/s1
InChIKeyQHZRNYJHSZAXJU-AREMUKBSSA-N
MW437.67 g/mol
LogP5.40
Rot. Bonds14

About (6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

(6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 57043489) has the molecular formula C28H43N3O and a molecular weight of 437.67 g/mol. Its IUPAC name is (6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID57043489
Molecular FormulaC28H43N3O
Molecular Weight437.67 g/mol
Exact Mass437.34
IUPAC Name(6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCCCCCNCCc1ccccc1)[C@@H]1CCc2cc(O)c(NC)cc2C1
InChIInChI=1S/C28H43N3O/c1-3-18-31(26-14-13-24-22-28(32)27(29-2)21-25(24)20-26)19-10-5-4-9-16-30-17-15-23-11-7-6-8-12-23/h6-8,11-12,21-22,26,29-30,32H,3-5,9-10,13-20H2,1-2H3/t26-/m1/s1
InChIKeyQHZRNYJHSZAXJU-AREMUKBSSA-N
XLogP5.40
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

(6S)-1-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol;trihydrobromide
CID 70078647
N-[(7R)-3-hydroxy-7-[6-[2-(2-oxo-3H-1,3-benzothiazol-6-yl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]formamide
CID 22877919
(6S)-6-[6-[2-(3-hydroxyphenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol;dihydrobromide
CID 70066132
4-[2-[6-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexylamino]ethyl]benzene-1,2-diol
CID 23211625
(6S)-6-[6-[2-(4-aminophenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877949
(6S)-6-[6-[2-(4-hydroxy-3-methylphenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877944
6-[6-[2-(3-methylsulfonylphenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22905967
(6S)-6-[6-[2-(3-chloro-4-hydroxyphenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol;dihydrobromide
CID 22878008
(6S)-6-[6-[3-(4-hydroxyphenyl)propylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877973
N-[4-[2-[6-[(5,6-dihydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexylamino]ethyl]phenyl]acetamide
CID 22906044
6-[6-[3-(3,4-dihydroxyphenyl)propylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22906017
(6S)-6-[propyl-[6-(3-pyridin-3-ylpropylamino)hexyl]amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 70064510

Frequently Asked Questions

What is the IUPAC name of (6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 57043489) is (6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(CCCCCCNCCc1ccccc1)[C@@H]1CCc2cc(O)c(NC)cc2C1.
What is the InChIKey of (6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is QHZRNYJHSZAXJU-AREMUKBSSA-N. The full InChI is InChI=1S/C28H43N3O/c1-3-18-31(26-14-13-24-22-28(32)27(29-2)21-25(24)20-26)19-10-5-4-9-16-30-17-15-23-11-7-6-8-12-23/h6-8,11-12,21-22,26,29-30,32H,3-5,9-10,13-20H2,1-2H3/t26-/m1/s1.
What are the key properties of (6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
(6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 437.67 g/mol, XLogP of 5.40, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 57043489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).