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

C21H28N2O — CID 19889849

IUPAC3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline
SMILESCNCC(Cc1cccc(N)c1)C1CCCc2cc(OC)ccc21
InChIInChI=1S/C21H28N2O/c1-23-14-17(11-15-5-3-7-18(22)12-15)20-8-4-6-16-13-19(24-2)9-10-21(16)20/h3,5,7,9-10,12-13,17,20,23H,4,6,8,11,14,22H2,1-2H3
InChIKeyLXGNWTNIQNEGGH-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.78
Rot. Bonds6

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

3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline (PubChem CID 19889849) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline.

Molecular Properties

Compound Name3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline
PubChem CID19889849
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline
SMILESCNCC(Cc1cccc(N)c1)C1CCCc2cc(OC)ccc21
InChIInChI=1S/C21H28N2O/c1-23-14-17(11-15-5-3-7-18(22)12-15)20-8-4-6-16-13-19(24-2)9-10-21(16)20/h3,5,7,9-10,12-13,17,20,23H,4,6,8,11,14,22H2,1-2H3
InChIKeyLXGNWTNIQNEGGH-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine
CID 67936246
3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline
CID 57291928
5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 67867492
2-(furan-2-yl)-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylpropan-1-amine
CID 57256768
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
1-cyclopropyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 55172738
2-(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(furan-2-yl)-N-methylpropan-1-amine;methanesulfonate
CID 19882542
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443
6-methoxy-1,2,3,4-tetrahydronaphthalene-1-sulfonamide
CID 115000583
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367
(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129410305
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline?
The IUPAC name of 3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline (CID 19889849) is 3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline.
What is the SMILES notation for 3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline?
The canonical SMILES for 3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline is CNCC(Cc1cccc(N)c1)C1CCCc2cc(OC)ccc21.
What is the InChIKey of 3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline?
The InChIKey is LXGNWTNIQNEGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-23-14-17(11-15-5-3-7-18(22)12-15)20-8-4-6-16-13-19(24-2)9-10-21(16)20/h3,5,7,9-10,12-13,17,20,23H,4,6,8,11,14,22H2,1-2H3.
What are the key properties of 3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline?
3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline has a molecular weight of 324.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline is sourced from PubChem (CID 19889849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).