1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

C15H21F4NO — CID 103475554

IUPAC1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCNC(COCC(F)(F)C(F)F)Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H21F4NO/c1-10-4-11(2)6-12(5-10)7-13(20-3)8-21-9-15(18,19)14(16)17/h4-6,13-14,20H,7-9H2,1-3H3
InChIKeyFRWWAFFGQSORSB-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.35
Rot. Bonds8

About 1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103475554) has the molecular formula C15H21F4NO and a molecular weight of 307.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103475554
Molecular FormulaC15H21F4NO
Molecular Weight307.33 g/mol
Exact Mass307.16
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCNC(COCC(F)(F)C(F)F)Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H21F4NO/c1-10-4-11(2)6-12(5-10)7-13(20-3)8-21-9-15(18,19)14(16)17/h4-6,13-14,20H,7-9H2,1-3H3
InChIKeyFRWWAFFGQSORSB-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475696
1-(3-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475617
1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475568
1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475480
N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103475397
1-(3,4-dimethylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214766
[1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477886
1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103474840
[1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105205945
3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79093296
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475495
[1-(2,2,3,3-tetrafluoropropoxy)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 103477736

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103475554) is 1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is CNC(COCC(F)(F)C(F)F)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is FRWWAFFGQSORSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4NO/c1-10-4-11(2)6-12(5-10)7-13(20-3)8-21-9-15(18,19)14(16)17/h4-6,13-14,20H,7-9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 307.33 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103475554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).