1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine

C12H24F3NO — CID 116720559

IUPAC1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine
SMILESCCCNC(CCC(F)(F)F)C(OC)C(C)C
InChIInChI=1S/C12H24F3NO/c1-5-8-16-10(6-7-12(13,14)15)11(17-4)9(2)3/h9-11,16H,5-8H2,1-4H3
InChIKeyYHMWNQHSXVSNDJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds8

About 1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine

1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine (PubChem CID 116720559) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine
PubChem CID116720559
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine
SMILESCCCNC(CCC(F)(F)F)C(OC)C(C)C
InChIInChI=1S/C12H24F3NO/c1-5-8-16-10(6-7-12(13,14)15)11(17-4)9(2)3/h9-11,16H,5-8H2,1-4H3
InChIKeyYHMWNQHSXVSNDJ-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Difluoromethoxy)-2-propan-2-ylpiperidine
CID 170772139
3,3-Difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
CID 171531442
2-Tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine
CID 176833257
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 61490525
N-ethyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61755094
N-propyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757100
N-methyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757312
3-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62445779
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62564787
2-(4-methylpentan-2-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572348
2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598118

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine?
The IUPAC name of 1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine (CID 116720559) is 1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine is CCCNC(CCC(F)(F)F)C(OC)C(C)C.
What is the InChIKey of 1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine?
The InChIKey is YHMWNQHSXVSNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-5-8-16-10(6-7-12(13,14)15)11(17-4)9(2)3/h9-11,16H,5-8H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine?
1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine has a molecular weight of 255.32 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine is sourced from PubChem (CID 116720559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).