(5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol

C17H19NO — CID 57031457

IUPAC(5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESNC[C@@H]1C[C@H](c2ccccc2)Cc2c(O)cccc21
InChIInChI=1S/C17H19NO/c18-11-14-9-13(12-5-2-1-3-6-12)10-16-15(14)7-4-8-17(16)19/h1-8,13-14,19H,9-11,18H2/t13-,14-/m0/s1
InChIKeyHFSOIDPRUZCEFQ-KBPBESRZSA-N
MW253.35 g/mol
LogP3.16
Rot. Bonds2

About (5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol

(5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 57031457) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID57031457
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESNC[C@@H]1C[C@H](c2ccccc2)Cc2c(O)cccc21
InChIInChI=1S/C17H19NO/c18-11-14-9-13(12-5-2-1-3-6-12)10-16-15(14)7-4-8-17(16)19/h1-8,13-14,19H,9-11,18H2/t13-,14-/m0/s1
InChIKeyHFSOIDPRUZCEFQ-KBPBESRZSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol (CID 57031457) is (5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol is NC[C@@H]1C[C@H](c2ccccc2)Cc2c(O)cccc21.
What is the InChIKey of (5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is HFSOIDPRUZCEFQ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H19NO/c18-11-14-9-13(12-5-2-1-3-6-12)10-16-15(14)7-4-8-17(16)19/h1-8,13-14,19H,9-11,18H2/t13-,14-/m0/s1.
What are the key properties of (5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol?
(5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 253.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 57031457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).