4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine

C11H20F3NO — CID 104860348

IUPAC4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
SMILESCOC1CCC(NC(C)CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(7-11(12,13)14)15-9-3-5-10(16-2)6-4-9/h8-10,15H,3-7H2,1-2H3
InChIKeyHZNCBCSHCCNSQQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.87
Rot. Bonds4

About 4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine

4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine (PubChem CID 104860348) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
PubChem CID104860348
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
SMILESCOC1CCC(NC(C)CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(7-11(12,13)14)15-9-3-5-10(16-2)6-4-9/h8-10,15H,3-7H2,1-2H3
InChIKeyHZNCBCSHCCNSQQ-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 104584522
(2R)-2-[(4-methoxycyclohexyl)amino]propan-1-ol
CID 114983116
N-(4,4,4-trifluorobutan-2-yl)thian-4-amine
CID 103901644
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine
CID 104530181
3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol
CID 104530280
3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
CID 115721245
3-[(3-methoxycyclopentyl)amino]butanenitrile
CID 103080676
3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
CID 113348677
cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine
CID 170129842
3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902325
N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine
CID 113260616

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine (CID 104860348) is 4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine is COC1CCC(NC(C)CC(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine?
The InChIKey is HZNCBCSHCCNSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(7-11(12,13)14)15-9-3-5-10(16-2)6-4-9/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine?
4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 104860348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).