2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine

C15H21F4NO — CID 62455254

IUPAC2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccccc1COCC(F)(F)C(F)F
InChIInChI=1S/C15H21F4NO/c1-14(2,3)20-8-11-6-4-5-7-12(11)9-21-10-15(18,19)13(16)17/h4-7,13,20H,8-10H2,1-3H3
InChIKeyAIYXUMXNEFKPDZ-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.99
Rot. Bonds7

About 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine

2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine (PubChem CID 62455254) has the molecular formula C15H21F4NO and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine
PubChem CID62455254
Molecular FormulaC15H21F4NO
Molecular Weight307.33 g/mol
Exact Mass307.16
IUPAC Name2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccccc1COCC(F)(F)C(F)F
InChIInChI=1S/C15H21F4NO/c1-14(2,3)20-8-11-6-4-5-7-12(11)9-21-10-15(18,19)13(16)17/h4-7,13,20H,8-10H2,1-3H3
InChIKeyAIYXUMXNEFKPDZ-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-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-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075003
N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine
CID 55075103
N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62460379
2-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 43509396
2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 102987023
2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63807537
2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476559
2-methyl-N-[[2-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-2-amine
CID 115513209
N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610199
N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
CID 82006882
2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide
CID 86890323
N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine
CID 113314819

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine (CID 62455254) is 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine is CC(C)(C)NCc1ccccc1COCC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine?
The InChIKey is AIYXUMXNEFKPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4NO/c1-14(2,3)20-8-11-6-4-5-7-12(11)9-21-10-15(18,19)13(16)17/h4-7,13,20H,8-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine has a molecular weight of 307.33 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62455254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).