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

C18H21NO — CID 63771297

IUPACN-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
SMILESCNc1ccc(OCC2CCCc3ccccc32)cc1
InChIInChI=1S/C18H21NO/c1-19-16-9-11-17(12-10-16)20-13-15-7-4-6-14-5-2-3-8-18(14)15/h2-3,5,8-12,15,19H,4,6-7,13H2,1H3
InChIKeyKPPSFYMVSVCHRA-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.23
Rot. Bonds4

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

N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline (PubChem CID 63771297) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline.

Molecular Properties

Compound NameN-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
PubChem CID63771297
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
SMILESCNc1ccc(OCC2CCCc3ccccc32)cc1
InChIInChI=1S/C18H21NO/c1-19-16-9-11-17(12-10-16)20-13-15-7-4-6-14-5-2-3-8-18(14)15/h2-3,5,8-12,15,19H,4,6-7,13H2,1H3
InChIKeyKPPSFYMVSVCHRA-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole
CID 116793965
1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 83056818
2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63772089
2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile
CID 102724073
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
CID 66437326
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771052
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile
CID 133335142
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridin-3-amine
CID 63771060
N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine
CID 63771953

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline?
The IUPAC name of N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline (CID 63771297) is N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline.
What is the SMILES notation for N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline?
The canonical SMILES for N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline is CNc1ccc(OCC2CCCc3ccccc32)cc1.
What is the InChIKey of N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline?
The InChIKey is KPPSFYMVSVCHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-19-16-9-11-17(12-10-16)20-13-15-7-4-6-14-5-2-3-8-18(14)15/h2-3,5,8-12,15,19H,4,6-7,13H2,1H3.
What are the key properties of N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline?
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline has a molecular weight of 267.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline is sourced from PubChem (CID 63771297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).