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

C24H33NO2 — CID 138467658

IUPAC(5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESCc1ccccc1OC[C@H]1CCc2cc([C@H](CN)CCCCO)ccc2C1
InChIInChI=1S/C24H33NO2/c1-18-6-2-3-8-24(18)27-17-19-9-10-21-15-22(12-11-20(21)14-19)23(16-25)7-4-5-13-26/h2-3,6,8,11-12,15,19,23,26H,4-5,7,9-10,13-14,16-17,25H2,1H3/t19-,23-/m0/s1
InChIKeyFECSAGWZDLDYPI-CVDCTZTESA-N
MW367.53 g/mol
LogP4.38
Rot. Bonds9

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

(5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (PubChem CID 138467658) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
PubChem CID138467658
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESCc1ccccc1OC[C@H]1CCc2cc([C@H](CN)CCCCO)ccc2C1
InChIInChI=1S/C24H33NO2/c1-18-6-2-3-8-24(18)27-17-19-9-10-21-15-22(12-11-20(21)14-19)23(16-25)7-4-5-13-26/h2-3,6,8,11-12,15,19,23,26H,4-5,7,9-10,13-14,16-17,25H2,1H3/t19-,23-/m0/s1
InChIKeyFECSAGWZDLDYPI-CVDCTZTESA-N
XLogP4.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The IUPAC name of (5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (CID 138467658) is (5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.
What is the SMILES notation for (5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The canonical SMILES for (5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is Cc1ccccc1OC[C@H]1CCc2cc([C@H](CN)CCCCO)ccc2C1.
What is the InChIKey of (5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The InChIKey is FECSAGWZDLDYPI-CVDCTZTESA-N. The full InChI is InChI=1S/C24H33NO2/c1-18-6-2-3-8-24(18)27-17-19-9-10-21-15-22(12-11-20(21)14-19)23(16-25)7-4-5-13-26/h2-3,6,8,11-12,15,19,23,26H,4-5,7,9-10,13-14,16-17,25H2,1H3/t19-,23-/m0/s1.
What are the key properties of (5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
(5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol has a molecular weight of 367.53 g/mol, XLogP of 4.38, 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-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is sourced from PubChem (CID 138467658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).