1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine

C11H22F3NO — CID 66205173

IUPAC1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)(CC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-6-7-15-10(4,11(12,13)14)8-9(2,3)16-5/h15H,6-8H2,1-5H3
InChIKeyNSRBXQOTMIDHPB-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds6

About 1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine

1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine (PubChem CID 66205173) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
PubChem CID66205173
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)(CC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-6-7-15-10(4,11(12,13)14)8-9(2,3)16-5/h15H,6-8H2,1-5H3
InChIKeyNSRBXQOTMIDHPB-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine (CID 66205173) is 1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine is CCCNC(C)(CC(C)(C)OC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine?
The InChIKey is NSRBXQOTMIDHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-6-7-15-10(4,11(12,13)14)8-9(2,3)16-5/h15H,6-8H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine?
1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine is sourced from PubChem (CID 66205173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).