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

C16H24F3NO — CID 104845499

IUPACN-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCNC(c1ccccc1)C(C)CCCOCC(F)(F)F
InChIInChI=1S/C16H24F3NO/c1-3-20-15(14-9-5-4-6-10-14)13(2)8-7-11-21-12-16(17,18)19/h4-6,9-10,13,15,20H,3,7-8,11-12H2,1-2H3
InChIKeyIUSAGDFLVDAATF-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.33
Rot. Bonds9

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

N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 104845499) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID104845499
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCNC(c1ccccc1)C(C)CCCOCC(F)(F)F
InChIInChI=1S/C16H24F3NO/c1-3-20-15(14-9-5-4-6-10-14)13(2)8-7-11-21-12-16(17,18)19/h4-6,9-10,13,15,20H,3,7-8,11-12H2,1-2H3
InChIKeyIUSAGDFLVDAATF-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.33
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

2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 104845241
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845517
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 61491100
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine
CID 79109121
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
N-(2-chloro-1-phenylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 65026203
1-[(1S)-1-phenylethyl]-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 95761516
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
N,4-diethyl-2-methyl-1-phenyloctan-1-amine
CID 104845466

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 104845499) is N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCNC(c1ccccc1)C(C)CCCOCC(F)(F)F.
What is the InChIKey of N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is IUSAGDFLVDAATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-3-20-15(14-9-5-4-6-10-14)13(2)8-7-11-21-12-16(17,18)19/h4-6,9-10,13,15,20H,3,7-8,11-12H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 104845499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).