1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine

C11H20F3NO — CID 84736840

IUPAC1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine
SMILESCOC1(C(F)(F)F)CCC(CC(C)N)CC1
InChIInChI=1S/C11H20F3NO/c1-8(15)7-9-3-5-10(16-2,6-4-9)11(12,13)14/h8-9H,3-7,15H2,1-2H3
InChIKeyIEMXHCRSYAUMEV-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds3

About 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine

1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine (PubChem CID 84736840) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine
PubChem CID84736840
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine
SMILESCOC1(C(F)(F)F)CCC(CC(C)N)CC1
InChIInChI=1S/C11H20F3NO/c1-8(15)7-9-3-5-10(16-2,6-4-9)11(12,13)14/h8-9H,3-7,15H2,1-2H3
InChIKeyIEMXHCRSYAUMEV-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(Difluoromethyl)-1-methoxycyclohexyl]methanamine
CID 122164072
4-(1,1,1-Trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine
CID 21252713
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
[4-Propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036534
[4-Ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62111252
9-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64756955
[1-(Difluoromethoxy)-4-methylcyclohexyl]methanamine
CID 65051220
[4-Propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
CID 65052269
[1-(Difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine
CID 65052279
[4-Ethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
CID 65052310
[1-(Difluoromethoxy)-4-propylcyclohexyl]methanamine
CID 65052658
[1-(2,2-Difluoroethoxy)-4-propylcyclohexyl]methanamine
CID 65052661

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine?
The IUPAC name of 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine (CID 84736840) is 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine.
What is the SMILES notation for 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine?
The canonical SMILES for 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine is COC1(C(F)(F)F)CCC(CC(C)N)CC1.
What is the InChIKey of 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine?
The InChIKey is IEMXHCRSYAUMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(15)7-9-3-5-10(16-2,6-4-9)11(12,13)14/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine?
1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine is sourced from PubChem (CID 84736840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).