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

C17H18ClNO — CID 63772089

IUPAC2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
SMILESNc1ccc(OCC2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C17H18ClNO/c18-16-10-14(8-9-17(16)19)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7-10,13H,3,5-6,11,19H2
InChIKeyHHEDLUJMGSGXOI-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.42
Rot. Bonds3

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

2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline (PubChem CID 63772089) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline.

Molecular Properties

Compound Name2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
PubChem CID63772089
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
SMILESNc1ccc(OCC2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C17H18ClNO/c18-16-10-14(8-9-17(16)19)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7-10,13H,3,5-6,11,19H2
InChIKeyHHEDLUJMGSGXOI-UHFFFAOYSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)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-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile
CID 102724073
3-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 107715792
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771052
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771297
[2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
CID 114318313
1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole
CID 116793965
3-bromo-5-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771567
[3-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
CID 63771057
1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 83056818
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
CID 66437326
1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene
CID 107691161
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline?
The IUPAC name of 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline (CID 63772089) is 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline.
What is the SMILES notation for 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline?
The canonical SMILES for 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline is Nc1ccc(OCC2CCCc3ccccc32)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline?
The InChIKey is HHEDLUJMGSGXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-16-10-14(8-9-17(16)19)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7-10,13H,3,5-6,11,19H2.
What are the key properties of 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline?
2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline has a molecular weight of 287.79 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline is sourced from PubChem (CID 63772089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).