N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C14H24F3NO — CID 104844810

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCC1(CNC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H24F3NO/c1-19-9-8-13(6-7-13)10-18-12-4-2-11(3-5-12)14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyOBLUSEWUHPXPGB-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.51
Rot. Bonds6

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104844810) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104844810
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCC1(CNC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H24F3NO/c1-19-9-8-13(6-7-13)10-18-12-4-2-11(3-5-12)14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyOBLUSEWUHPXPGB-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-propylcyclohexan-1-amine
CID 103802424
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine
CID 62725035
N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine
CID 65194954
N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755681
N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844849
3-cyclopropyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexan-1-amine
CID 103903916
ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate
CID 103802384
N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 82714410
N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753627
2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol
CID 114750591
N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
CID 55197381
N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63507892

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 104844810) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine is COCCC1(CNC2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OBLUSEWUHPXPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-19-9-8-13(6-7-13)10-18-12-4-2-11(3-5-12)14(15,16)17/h11-12,18H,2-10H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104844810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).