4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline

C18H21NO — CID 63771052

IUPAC4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
SMILESCc1ccc(N)c(OCC2CCCc3ccccc32)c1
InChIInChI=1S/C18H21NO/c1-13-9-10-17(19)18(11-13)20-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8-11,15H,4,6-7,12,19H2,1H3
InChIKeyMTOPNLSUPBHIEC-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.08
Rot. Bonds3

About 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline

4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline (PubChem CID 63771052) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline.

Molecular Properties

Compound Name4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
PubChem CID63771052
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
SMILESCc1ccc(N)c(OCC2CCCc3ccccc32)c1
InChIInChI=1S/C18H21NO/c1-13-9-10-17(19)18(11-13)20-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8-11,15H,4,6-7,12,19H2,1H3
InChIKeyMTOPNLSUPBHIEC-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63772089
1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 83056818
5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)aniline
CID 63773145
3-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 107715792
[3-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
CID 63771057
1-[(5-bromo-2-fluorophenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 114672636
3-bromo-5-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771567
[2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
CID 114318313
1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene
CID 107691161
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771297
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
7-[(2-bromo-4-methylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66419117

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline?
The IUPAC name of 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline (CID 63771052) is 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline.
What is the SMILES notation for 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline?
The canonical SMILES for 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline is Cc1ccc(N)c(OCC2CCCc3ccccc32)c1.
What is the InChIKey of 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline?
The InChIKey is MTOPNLSUPBHIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-9-10-17(19)18(11-13)20-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8-11,15H,4,6-7,12,19H2,1H3.
What are the key properties of 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline?
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline has a molecular weight of 267.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline is sourced from PubChem (CID 63771052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).