2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine

C15H21F4NO — CID 106289896

IUPAC2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CCOc1ccc(CNCC(F)(F)C(F)F)cc1
InChIInChI=1S/C15H21F4NO/c1-11(2)7-8-21-13-5-3-12(4-6-13)9-20-10-15(18,19)14(16)17/h3-6,11,14,20H,7-10H2,1-2H3
InChIKeyDYGSXXJWNLNXKL-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.10
Rot. Bonds9

About 2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine

2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine (PubChem CID 106289896) has the molecular formula C15H21F4NO and a molecular weight of 307.33 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
PubChem CID106289896
Molecular FormulaC15H21F4NO
Molecular Weight307.33 g/mol
Exact Mass307.16
IUPAC Name2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CCOc1ccc(CNCC(F)(F)C(F)F)cc1
InChIInChI=1S/C15H21F4NO/c1-11(2)7-8-21-13-5-3-12(4-6-13)9-20-10-15(18,19)14(16)17/h3-6,11,14,20H,7-10H2,1-2H3
InChIKeyDYGSXXJWNLNXKL-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-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

N'-[[4-(3-methylbutoxy)phenyl]methyl]propane-1,3-diamine
CID 60888382
2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine
CID 103529393
N-[[4-(3-methylbutoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115764090
2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine
CID 63450563
2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64552907
1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 28671880
2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol
CID 103859561
N-[2-[[4-(3-methylbutoxy)phenyl]methylamino]ethyl]methanesulfonamide
CID 29270866
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
N-[[4-(3-methylbutoxy)phenyl]methyl]aniline
CID 29039678
2-methyl-N-[[4-(3-methylbutoxy)phenyl]methyl]pentan-3-amine
CID 63455307
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine (CID 106289896) is 2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine is CC(C)CCOc1ccc(CNCC(F)(F)C(F)F)cc1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine?
The InChIKey is DYGSXXJWNLNXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4NO/c1-11(2)7-8-21-13-5-3-12(4-6-13)9-20-10-15(18,19)14(16)17/h3-6,11,14,20H,7-10H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine has a molecular weight of 307.33 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 106289896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).