[1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

C14H25F3N2O2 — CID 103531925

IUPAC[1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCOC1CN(C2(CN)CCCC(C(F)(F)F)C2)CC1OC
InChIInChI=1S/C14H25F3N2O2/c1-20-11-7-19(8-12(11)21-2)13(9-18)5-3-4-10(6-13)14(15,16)17/h10-12H,3-9,18H2,1-2H3
InChIKeyPOMXMCKOHRYBIJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.78
Rot. Bonds4

About [1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

[1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 103531925) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is [1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID103531925
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name[1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCOC1CN(C2(CN)CCCC(C(F)(F)F)C2)CC1OC
InChIInChI=1S/C14H25F3N2O2/c1-20-11-7-19(8-12(11)21-2)13(9-18)5-3-4-10(6-13)14(15,16)17/h10-12H,3-9,18H2,1-2H3
InChIKeyPOMXMCKOHRYBIJ-UHFFFAOYSA-N
XLogP1.78
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62004899
1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62005077
1-(aminomethyl)-N,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62006769
1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757009
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757012
1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757407
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757409
[1-[3-(Methoxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64758018
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758420
1-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758422
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758628
[1-(2-Methyl-1,4-oxazepan-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64759044

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (CID 103531925) is [1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is COC1CN(C2(CN)CCCC(C(F)(F)F)C2)CC1OC.
What is the InChIKey of [1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is POMXMCKOHRYBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-20-11-7-19(8-12(11)21-2)13(9-18)5-3-4-10(6-13)14(15,16)17/h10-12H,3-9,18H2,1-2H3.
What are the key properties of [1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
[1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 310.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxypyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 103531925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).