(2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C20H32N2O2 — CID 125444658

IUPAC(2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC[C@H](NCCCOC1CCN(C)CC1)C2
InChIInChI=1S/C20H32N2O2/c1-22-11-8-19(9-12-22)24-13-3-10-21-18-6-4-17-15-20(23-2)7-5-16(17)14-18/h5,7,15,18-19,21H,3-4,6,8-14H2,1-2H3/t18-/m0/s1
InChIKeyTVIBPKPABNPDOT-SFHVURJKSA-N
MW332.49 g/mol
LogP2.64
Rot. Bonds7

About (2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 125444658) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID125444658
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name(2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC[C@H](NCCCOC1CCN(C)CC1)C2
InChIInChI=1S/C20H32N2O2/c1-22-11-8-19(9-12-22)24-13-3-10-21-18-6-4-17-15-20(23-2)7-5-16(17)14-18/h5,7,15,18-19,21H,3-4,6,8-14H2,1-2H3/t18-/m0/s1
InChIKeyTVIBPKPABNPDOT-SFHVURJKSA-N
XLogP2.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-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

Related Compounds

6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 23634994
N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510529
7-methoxy-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510465
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
7-methoxy-N-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510457
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 13472347
N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
CID 115510319
(2S)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 95202757
N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103845697
[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]hydrazine
CID 124537599

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 125444658) is (2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC[C@H](NCCCOC1CCN(C)CC1)C2.
What is the InChIKey of (2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is TVIBPKPABNPDOT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-22-11-8-19(9-12-22)24-13-3-10-21-18-6-4-17-15-20(23-2)7-5-16(17)14-18/h5,7,15,18-19,21H,3-4,6,8-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 332.49 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 125444658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).