2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine

C14H25F3N2O — CID 60856324

IUPAC2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O/c1-20-13-5-3-2-4-12(13)18-8-11-6-7-19(9-11)10-14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyWLPXZUQZOLYIQR-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.42
Rot. Bonds5

About 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine

2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine (PubChem CID 60856324) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
PubChem CID60856324
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O/c1-20-13-5-3-2-4-12(13)18-8-11-6-7-19(9-11)10-14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyWLPXZUQZOLYIQR-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,6S)-2,2-difluoro-6-[1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156429489
cis-(1R,6S)-2,2-difluoro-6-[(3S)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156429495
cis-(1R,6S)-2,2-difluoro-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156429499
trans-(1R,6S)-2,2-difluoro-6-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]oxymethyl]cyclohexan-1-amine
CID 156429707
cis-(1R,6S)-6-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]oxy-2,2-difluorocyclohexan-1-amine
CID 156429749
cis-(1R,6S)-2,2-difluoro-6-[(3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156429798
(6S)-2,2-difluoro-6-[(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156429808
cis-(1R,6S)-2,2-difluoro-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156429836
cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156745894
cis-(1R,6S)-2,2-difluoro-6-[(3S)-1-(2-fluoro-2-methylpropyl)pyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156745951
cis-(1R,6S)-2,2-difluoro-6-[(3S)-1-[(1-fluorocyclopropyl)methyl]pyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156745952
cis-(1R,6S)-6-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]oxy-2,2-difluorocyclohexan-1-amine
CID 156746005

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine (CID 60856324) is 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine is COC1CCCCC1NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The InChIKey is WLPXZUQZOLYIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-20-13-5-3-2-4-12(13)18-8-11-6-7-19(9-11)10-14(15,16)17/h11-13,18H,2-10H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine has a molecular weight of 294.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 60856324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).