3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline

C17H19NO — CID 112648458

IUPAC3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline
SMILESCc1cc(N)cc(Oc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C17H19NO/c1-12-8-15(18)11-17(9-12)19-16-7-6-13-4-2-3-5-14(13)10-16/h6-11H,2-5,18H2,1H3
InChIKeyWTCDNODODMFNDT-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.25
Rot. Bonds2

About 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline

3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline (PubChem CID 112648458) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline.

Molecular Properties

Compound Name3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline
PubChem CID112648458
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline
SMILESCc1cc(N)cc(Oc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C17H19NO/c1-12-8-15(18)11-17(9-12)19-16-7-6-13-4-2-3-5-14(13)10-16/h6-11H,2-5,18H2,1H3
InChIKeyWTCDNODODMFNDT-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)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

5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridin-3-amine
CID 113424380
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene
CID 142255976
3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline
CID 107579783
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
3-(3,5-dichlorophenoxy)-5-methylaniline
CID 112648434
3-[[4-(3-amino-5-methylphenoxy)-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]oxy]-5-methylaniline
CID 175964446
4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide
CID 43436560
5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine
CID 104507282
2-(2,3-dihydro-1H-inden-5-yloxy)-6-methylpyridin-3-amine
CID 81133195
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 23433219
[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
CID 28946173

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline?
The IUPAC name of 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline (CID 112648458) is 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline.
What is the SMILES notation for 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline?
The canonical SMILES for 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline is Cc1cc(N)cc(Oc2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline?
The InChIKey is WTCDNODODMFNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-8-15(18)11-17(9-12)19-16-7-6-13-4-2-3-5-14(13)10-16/h6-11H,2-5,18H2,1H3.
What are the key properties of 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline?
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline has a molecular weight of 253.34 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline is sourced from PubChem (CID 112648458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).