N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C15H20F3NO — CID 82788201

IUPACN-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1OCCCC(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-19-14-12-6-3-2-5-11(12)7-8-13(14)20-10-4-9-15(16,17)18/h2-3,5-6,13-14,19H,4,7-10H2,1H3
InChIKeyCMHKCMPHWLSXBD-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.62
Rot. Bonds5

About N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 82788201) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID82788201
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1OCCCC(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-19-14-12-6-3-2-5-11(12)7-8-13(14)20-10-4-9-15(16,17)18/h2-3,5-6,13-14,19H,4,7-10H2,1H3
InChIKeyCMHKCMPHWLSXBD-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine 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-(3-methoxy-3-methylbutoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106665401
7-methoxy-N-methyl-2-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82960676
6-(2-cyclopropylethoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106200554
6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 66234040
N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106447263
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 103401891
N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83157787
N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106665345
N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
CID 24702173
N-methyl-2-(4,4,4-trifluorobutoxy)cycloheptan-1-amine
CID 82788736
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 102721910
N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646813

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 82788201) is N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1OCCCC(F)(F)F.
What is the InChIKey of N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is CMHKCMPHWLSXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-19-14-12-6-3-2-5-11(12)7-8-13(14)20-10-4-9-15(16,17)18/h2-3,5-6,13-14,19H,4,7-10H2,1H3.
What are the key properties of N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 287.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 82788201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).