N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine

C14H24F3NO — CID 43788073

IUPACN-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1CCCCC1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-19-13-9-5-4-8-12(13)18-11-7-3-2-6-10(11)14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyPFVWHTPLSIQKBE-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.65
Rot. Bonds3

About N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43788073) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43788073
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1CCCCC1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-19-13-9-5-4-8-12(13)18-11-7-3-2-6-10(11)14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyPFVWHTPLSIQKBE-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 70837107
2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
CID 43435246
2-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43755109
2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43788025
2-methoxy-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43791411
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 55036775
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733194
N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 60977329
N,4-dipropyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61754694
N,4-dimethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61754904
N-methyl-4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61755097
4-ethyl-N-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61755496

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 43788073) is N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine is COC1CCCCC1NC1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is PFVWHTPLSIQKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-19-13-9-5-4-8-12(13)18-11-7-3-2-6-10(11)14(15,16)17/h10-13,18H,2-9H2,1H3.
What are the key properties of N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43788073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).