1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

C14H27F3N2O — CID 64757409

IUPAC1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(C(C)COC)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-4-19(11(2)9-20-3)13(10-18)7-5-6-12(8-13)14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyQDVFANARSNALBZ-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.79
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757409) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757409
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(C(C)COC)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-4-19(11(2)9-20-3)13(10-18)7-5-6-12(8-13)14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyQDVFANARSNALBZ-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,3-trimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-amine
CID 61490311
N,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine
CID 61491385
1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62004510
1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62004899
1-(aminomethyl)-N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62005068
1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62005077
1-(aminomethyl)-4-ethyl-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62005442
1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62005623
1-(aminomethyl)-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62006009
1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62006382
1-(aminomethyl)-N-ethyl-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62006744
1-(aminomethyl)-N,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62006769

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757409) is 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is CCN(C(C)COC)C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is QDVFANARSNALBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-4-19(11(2)9-20-3)13(10-18)7-5-6-12(8-13)14(15,16)17/h11-12H,4-10,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 296.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).