(6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine

C14H23NO — CID 70843745

IUPAC(6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine
SMILESCOCCNC1CCC2=C[C@H](C)CC=C2C1
InChIInChI=1S/C14H23NO/c1-11-3-4-13-10-14(15-7-8-16-2)6-5-12(13)9-11/h4,9,11,14-15H,3,5-8,10H2,1-2H3/t11-,14?/m1/s1
InChIKeyJTOIUNRKEWMVFR-YNODCEANSA-N
MW221.34 g/mol
LogP2.67
Rot. Bonds4

About (6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine

(6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine (PubChem CID 70843745) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine.

Molecular Properties

Compound Name(6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine
PubChem CID70843745
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine
SMILESCOCCNC1CCC2=C[C@H](C)CC=C2C1
InChIInChI=1S/C14H23NO/c1-11-3-4-13-10-14(15-7-8-16-2)6-5-12(13)9-11/h4,9,11,14-15H,3,5-8,10H2,1-2H3/t11-,14?/m1/s1
InChIKeyJTOIUNRKEWMVFR-YNODCEANSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine 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 (6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine?
The IUPAC name of (6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine (CID 70843745) is (6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine.
What is the SMILES notation for (6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine?
The canonical SMILES for (6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine is COCCNC1CCC2=C[C@H](C)CC=C2C1.
What is the InChIKey of (6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine?
The InChIKey is JTOIUNRKEWMVFR-YNODCEANSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-3-4-13-10-14(15-7-8-16-2)6-5-12(13)9-11/h4,9,11,14-15H,3,5-8,10H2,1-2H3/t11-,14?/m1/s1.
What are the key properties of (6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine?
(6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine is sourced from PubChem (CID 70843745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).