(6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol

C21H28N2O — CID 15115510

IUPAC(6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCc1ccc(N)cc1)[C@@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C21H28N2O/c1-2-13-23(14-12-16-6-8-18(22)9-7-16)19-10-11-20-17(15-19)4-3-5-21(20)24/h3-9,19,24H,2,10-15,22H2,1H3/t19-/m1/s1
InChIKeySPMVURQMVHUPOT-LJQANCHMSA-N
MW324.47 g/mol
LogP3.79
Rot. Bonds6

About (6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol

(6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 15115510) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID15115510
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCc1ccc(N)cc1)[C@@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C21H28N2O/c1-2-13-23(14-12-16-6-8-18(22)9-7-16)19-10-11-20-17(15-19)4-3-5-21(20)24/h3-9,19,24H,2,10-15,22H2,1H3/t19-/m1/s1
InChIKeySPMVURQMVHUPOT-LJQANCHMSA-N
XLogP3.79
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 15115510) is (6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(CCc1ccc(N)cc1)[C@@H]1CCc2c(O)cccc2C1.
What is the InChIKey of (6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is SPMVURQMVHUPOT-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N2O/c1-2-13-23(14-12-16-6-8-18(22)9-7-16)19-10-11-20-17(15-19)4-3-5-21(20)24/h3-9,19,24H,2,10-15,22H2,1H3/t19-/m1/s1.
What are the key properties of (6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
(6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 324.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 15115510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).