6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine

C13H26F3NO2 — CID 103148773

IUPAC6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCCNC(CCOCC(F)(F)F)C(C)CCOC
InChIInChI=1S/C13H26F3NO2/c1-4-7-17-12(11(2)5-8-18-3)6-9-19-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyKTJWFNIGHOKPER-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.00
Rot. Bonds11

About 6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine

6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine (PubChem CID 103148773) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine.

Molecular Properties

Compound Name6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
PubChem CID103148773
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC Name6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCCNC(CCOCC(F)(F)F)C(C)CCOC
InChIInChI=1S/C13H26F3NO2/c1-4-7-17-12(11(2)5-8-18-3)6-9-19-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyKTJWFNIGHOKPER-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine
CID 102928662
1,5-dimethoxy-2-methyl-N-propylpentan-3-amine
CID 165348363
1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62320759
6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148699
1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
CID 55095563
6-methoxy-4-methyl-N-propyl-1-pyridin-4-ylhexan-3-amine
CID 105185077
6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
CID 105185190
N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine
CID 82955623
4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044369
N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62199109
1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
CID 105044273
1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 115003130

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The IUPAC name of 6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine (CID 103148773) is 6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine.
What is the SMILES notation for 6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The canonical SMILES for 6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine is CCCNC(CCOCC(F)(F)F)C(C)CCOC.
What is the InChIKey of 6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The InChIKey is KTJWFNIGHOKPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-4-7-17-12(11(2)5-8-18-3)6-9-19-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine has a molecular weight of 285.35 g/mol, XLogP of 3.00, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine is sourced from PubChem (CID 103148773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).