N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine

C15H21F4NO — CID 105349604

IUPACN-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C15H21F4NO/c1-11(2)20-8-7-12-3-5-13(6-4-12)9-21-10-15(18,19)14(16)17/h3-6,11,14,20H,7-10H2,1-2H3
InChIKeyDYRHYSDUYCBPSI-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.64
Rot. Bonds9

About N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine

N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine (PubChem CID 105349604) has the molecular formula C15H21F4NO and a molecular weight of 307.33 g/mol. Its IUPAC name is N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine
PubChem CID105349604
Molecular FormulaC15H21F4NO
Molecular Weight307.33 g/mol
Exact Mass307.16
IUPAC NameN-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C15H21F4NO/c1-11(2)20-8-7-12-3-5-13(6-4-12)9-21-10-15(18,19)14(16)17/h3-6,11,14,20H,7-10H2,1-2H3
InChIKeyDYRHYSDUYCBPSI-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.64
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

4-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 43128658
[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine
CID 43128661
4-(2,2,3,3-tetrafluoropropoxymethyl)benzoic acid
CID 890262
2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105349058
N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine
CID 98014897
4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide
CID 29004868
N-[2-[4-(oxolan-2-ylmethoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349489
N,N-dimethyl-4-[2-(propan-2-ylamino)ethyl]aniline
CID 64866407
N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62528832
N-methyl-2-nitro-4-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 62194898
N-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103473078
1-[3-bromo-4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-N-methylmethanamine
CID 102772439

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine (CID 105349604) is N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine is CC(C)NCCc1ccc(COCC(F)(F)C(F)F)cc1.
What is the InChIKey of N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine?
The InChIKey is DYRHYSDUYCBPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4NO/c1-11(2)20-8-7-12-3-5-13(6-4-12)9-21-10-15(18,19)14(16)17/h3-6,11,14,20H,7-10H2,1-2H3.
What are the key properties of N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine?
N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine has a molecular weight of 307.33 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 105349604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).