2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C14H20F3NO — CID 104845241

IUPAC2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(CCCOCC(F)(F)F)C(N)c1ccccc1
InChIInChI=1S/C14H20F3NO/c1-11(6-5-9-19-10-14(15,16)17)13(18)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10,18H2,1H3
InChIKeyPDTPCGDRYFJWAX-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.68
Rot. Bonds7

About 2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 104845241) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID104845241
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(CCCOCC(F)(F)F)C(N)c1ccccc1
InChIInChI=1S/C14H20F3NO/c1-11(6-5-9-19-10-14(15,16)17)13(18)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10,18H2,1H3
InChIKeyPDTPCGDRYFJWAX-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 104845499
2,6-dimethyl-1-phenylheptan-1-amine
CID 104845216
N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 61491100
1-[(1S)-1-phenylethyl]-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 95761516
2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine
CID 104845224
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 61491408
1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 115003130
6-methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430
6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490622
2-(3-methylphenyl)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 79437094
4-butoxy-1-phenylbutan-1-amine
CID 61483795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 104845241) is 2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CC(CCCOCC(F)(F)F)C(N)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is PDTPCGDRYFJWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-11(6-5-9-19-10-14(15,16)17)13(18)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10,18H2,1H3.
What are the key properties of 2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 104845241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).