N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine

C10H20F3NO — CID 103031785

IUPACN-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-5-14-8(10(11,12)13)6-7-9(2,3)15-4/h8,14H,5-7H2,1-4H3
InChIKeyFPQKJOJDUXJMNF-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds6

About N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine

N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine (PubChem CID 103031785) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine
PubChem CID103031785
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-5-14-8(10(11,12)13)6-7-9(2,3)15-4/h8,14H,5-7H2,1-4H3
InChIKeyFPQKJOJDUXJMNF-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62529713
N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62530933
2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62726228
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 66204142
1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 66205173
6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine
CID 79197558
6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine
CID 79197939
N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine
CID 79198505
N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 80604812
1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 80605536

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine (CID 103031785) is N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine is CCNC(CCC(C)(C)OC)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine?
The InChIKey is FPQKJOJDUXJMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-5-14-8(10(11,12)13)6-7-9(2,3)15-4/h8,14H,5-7H2,1-4H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine?
N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103031785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).