5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

C27H30N2O — CID 164923642

IUPAC5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCN1CC(N(C)c2ccc(C3c4ccc(O)cc4CCC3c3ccccc3)cc2)C1
InChIInChI=1S/C27H30N2O/c1-28-17-23(18-28)29(2)22-11-8-20(9-12-22)27-25(19-6-4-3-5-7-19)14-10-21-16-24(30)13-15-26(21)27/h3-9,11-13,15-16,23,25,27,30H,10,14,17-18H2,1-2H3
InChIKeyXBUBMRWJCWXGMK-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.00
Rot. Bonds4

About 5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 164923642) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID164923642
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCN1CC(N(C)c2ccc(C3c4ccc(O)cc4CCC3c3ccccc3)cc2)C1
InChIInChI=1S/C27H30N2O/c1-28-17-23(18-28)29(2)22-11-8-20(9-12-22)27-25(19-6-4-3-5-7-19)14-10-21-16-24(30)13-15-26(21)27/h3-9,11-13,15-16,23,25,27,30H,10,14,17-18H2,1-2H3
InChIKeyXBUBMRWJCWXGMK-UHFFFAOYSA-N
XLogP5.00
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

(5R,6S)-5-[4-(methylamino)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923514
(5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 169315914
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 172797617
1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid
CID 164923007
(5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 146606440
(5R,6S)-5-[4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethylamino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 129096591
[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate
CID 164923584
(5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139330652
(5S,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10527520
(5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134562590
(5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134582698

Frequently Asked Questions

What is the IUPAC name of 5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 164923642) is 5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is CN1CC(N(C)c2ccc(C3c4ccc(O)cc4CCC3c3ccccc3)cc2)C1.
What is the InChIKey of 5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is XBUBMRWJCWXGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c1-28-17-23(18-28)29(2)22-11-8-20(9-12-22)27-25(19-6-4-3-5-7-19)14-10-21-16-24(30)13-15-26(21)27/h3-9,11-13,15-16,23,25,27,30H,10,14,17-18H2,1-2H3.
What are the key properties of 5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 398.55 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 164923642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).