3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline

C21H28N2O — CID 57291928

IUPAC3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline
SMILESCNCC(CC1CCCc2cc(OC)ccc21)c1cccc(N)c1
InChIInChI=1S/C21H28N2O/c1-23-14-18(15-5-4-8-19(22)12-15)11-16-6-3-7-17-13-20(24-2)9-10-21(16)17/h4-5,8-10,12-13,16,18,23H,3,6-7,11,14,22H2,1-2H3
InChIKeyZMLKDMTYTBNUNT-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.09
Rot. Bonds6

About 3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline

3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline (PubChem CID 57291928) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline.

Molecular Properties

Compound Name3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline
PubChem CID57291928
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline
SMILESCNCC(CC1CCCc2cc(OC)ccc21)c1cccc(N)c1
InChIInChI=1S/C21H28N2O/c1-23-14-18(15-5-4-8-19(22)12-15)11-16-6-3-7-17-13-20(24-2)9-10-21(16)17/h4-5,8-10,12-13,16,18,23H,3,6-7,11,14,22H2,1-2H3
InChIKeyZMLKDMTYTBNUNT-UHFFFAOYSA-N
XLogP4.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline 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

2-(furan-2-yl)-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylpropan-1-amine
CID 57256768
3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline
CID 19889849
5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 57301570
5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 67867674
1-cyclopropyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 55172738
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine
CID 67936246
(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129410305
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 99638268
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
CID 79248252
2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine
CID 57051318
4-N-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzene-1,4-dicarboxamide
CID 99640978
4-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]benzene-1,4-dicarboxamide
CID 91648652

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline?
The IUPAC name of 3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline (CID 57291928) is 3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline.
What is the SMILES notation for 3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline?
The canonical SMILES for 3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline is CNCC(CC1CCCc2cc(OC)ccc21)c1cccc(N)c1.
What is the InChIKey of 3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline?
The InChIKey is ZMLKDMTYTBNUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-23-14-18(15-5-4-8-19(22)12-15)11-16-6-3-7-17-13-20(24-2)9-10-21(16)17/h4-5,8-10,12-13,16,18,23H,3,6-7,11,14,22H2,1-2H3.
What are the key properties of 3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline?
3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline has a molecular weight of 324.47 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline is sourced from PubChem (CID 57291928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).