(5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

C23H31NO2 — CID 138467979

IUPAC(5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESNC[C@H](CCCCO)c1ccc2c(c1)CC[C@@H](OCc1ccccc1)C2
InChIInChI=1S/C23H31NO2/c24-16-22(8-4-5-13-25)20-9-10-21-15-23(12-11-19(21)14-20)26-17-18-6-2-1-3-7-18/h1-3,6-7,9-10,14,22-23,25H,4-5,8,11-13,15-17,24H2/t22-,23+/m0/s1
InChIKeyAASZKGWKRQBGPW-XZOQPEGZSA-N
MW353.51 g/mol
LogP3.97
Rot. Bonds9

About (5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

(5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (PubChem CID 138467979) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is (5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
PubChem CID138467979
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name(5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESNC[C@H](CCCCO)c1ccc2c(c1)CC[C@@H](OCc1ccccc1)C2
InChIInChI=1S/C23H31NO2/c24-16-22(8-4-5-13-25)20-9-10-21-15-23(12-11-19(21)14-20)26-17-18-6-2-1-3-7-18/h1-3,6-7,9-10,14,22-23,25H,4-5,8,11-13,15-17,24H2/t22-,23+/m0/s1
InChIKeyAASZKGWKRQBGPW-XZOQPEGZSA-N
XLogP3.97
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-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)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The IUPAC name of (5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (CID 138467979) is (5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.
What is the SMILES notation for (5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The canonical SMILES for (5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is NC[C@H](CCCCO)c1ccc2c(c1)CC[C@@H](OCc1ccccc1)C2.
What is the InChIKey of (5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The InChIKey is AASZKGWKRQBGPW-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H31NO2/c24-16-22(8-4-5-13-25)20-9-10-21-15-23(12-11-19(21)14-20)26-17-18-6-2-1-3-7-18/h1-3,6-7,9-10,14,22-23,25H,4-5,8,11-13,15-17,24H2/t22-,23+/m0/s1.
What are the key properties of (5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
(5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol has a molecular weight of 353.51 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is sourced from PubChem (CID 138467979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).