5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C19H32ClNO — CID 23635993

IUPAC5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCCCCCCNC1CCc2c(cccc2OC)C1.Cl
InChIInChI=1S/C19H31NO.ClH/c1-3-4-5-6-7-8-14-20-17-12-13-18-16(15-17)10-9-11-19(18)21-2;/h9-11,17,20H,3-8,12-15H2,1-2H3;1H
InChIKeyVUTLKJJFDMPOIG-UHFFFAOYSA-N
MW325.92 g/mol
LogP4.92
Rot. Bonds9

About 5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 23635993) has the molecular formula C19H32ClNO and a molecular weight of 325.92 g/mol. Its IUPAC name is 5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID23635993
Molecular FormulaC19H32ClNO
Molecular Weight325.92 g/mol
Exact Mass325.22
IUPAC Name5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCCCCCCNC1CCc2c(cccc2OC)C1.Cl
InChIInChI=1S/C19H31NO.ClH/c1-3-4-5-6-7-8-14-20-17-12-13-18-16(15-17)10-9-11-19(18)21-2;/h9-11,17,20H,3-8,12-15H2,1-2H3;1H
InChIKeyVUTLKJJFDMPOIG-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.92
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 23635117
5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24880718
(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494595
N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60669476
6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 12581171
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
(2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid
CID 122044708
6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 23634994
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
N-nonyl-2,3-dihydro-1H-inden-2-amine
CID 107851988

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of 5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 23635993) is 5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for 5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CCCCCCCCNC1CCc2c(cccc2OC)C1.Cl.
What is the InChIKey of 5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is VUTLKJJFDMPOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO.ClH/c1-3-4-5-6-7-8-14-20-17-12-13-18-16(15-17)10-9-11-19(18)21-2;/h9-11,17,20H,3-8,12-15H2,1-2H3;1H.
What are the key properties of 5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 325.92 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 23635993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).