N-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide

C20H24FN3O — CID 69221896

IUPACN-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide
SMILESC/C(=N\CCc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H](N)[C@H](O)CC2
InChIInChI=1S/C20H24FN3O/c1-13(23-11-10-14-2-6-16(21)7-3-14)24-17-8-4-15-5-9-19(25)20(22)18(15)12-17/h2-4,6-8,12,19-20,25H,5,9-11,22H2,1H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyCUVHEHYVKCHXSY-WOJBJXKFSA-N
MW341.43 g/mol
LogP3.21
Rot. Bonds4

About N-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide

N-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide (PubChem CID 69221896) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide.

Molecular Properties

Compound NameN-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide
PubChem CID69221896
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide
SMILESC/C(=N\CCc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H](N)[C@H](O)CC2
InChIInChI=1S/C20H24FN3O/c1-13(23-11-10-14-2-6-16(21)7-3-14)24-17-8-4-15-5-9-19(25)20(22)18(15)12-17/h2-4,6-8,12,19-20,25H,5,9-11,22H2,1H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyCUVHEHYVKCHXSY-WOJBJXKFSA-N
XLogP3.21
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide?
The IUPAC name of N-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide (CID 69221896) is N-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide.
What is the SMILES notation for N-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide?
The canonical SMILES for N-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide is C/C(=N\CCc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H](N)[C@H](O)CC2.
What is the InChIKey of N-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide?
The InChIKey is CUVHEHYVKCHXSY-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-13(23-11-10-14-2-6-16(21)7-3-14)24-17-8-4-15-5-9-19(25)20(22)18(15)12-17/h2-4,6-8,12,19-20,25H,5,9-11,22H2,1H3,(H,23,24)/t19-,20-/m1/s1.
What are the key properties of N-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide?
N-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide has a molecular weight of 341.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R,8R)-8-amino-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-N'-[2-(4-fluorophenyl)ethyl]ethanimidamide is sourced from PubChem (CID 69221896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).