2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine

C13H24FN — CID 112567071

IUPAC2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine
SMILESCC1CCC(C(F)(CN)C2CC2)CC1C
InChIInChI=1S/C13H24FN/c1-9-3-4-12(7-10(9)2)13(14,8-15)11-5-6-11/h9-12H,3-8,15H2,1-2H3
InChIKeyDYHFFEXHQSRVHK-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.14
Rot. Bonds3

About 2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine

2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine (PubChem CID 112567071) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine
PubChem CID112567071
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine
SMILESCC1CCC(C(F)(CN)C2CC2)CC1C
InChIInChI=1S/C13H24FN/c1-9-3-4-12(7-10(9)2)13(14,8-15)11-5-6-11/h9-12H,3-8,15H2,1-2H3
InChIKeyDYHFFEXHQSRVHK-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(3,4-dimethylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105312462
5-[1,1-bis(4,5-dimethylcycloheptyl)-2,2,2-trifluoroethyl]-1,2-dimethylcycloheptane
CID 70974200
2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane
CID 121477054
2-(3,4-dimethylcyclohexyl)-2-methylpropanal
CID 130743501
4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane
CID 89153540
2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine
CID 65051015
3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine
CID 81022684
1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine
CID 64738011
3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530936
2-fluoro-2-(4-methylcyclohexyl)butan-1-amine
CID 112565905
1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine
CID 112679566
2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal
CID 66038858

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine?
The IUPAC name of 2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine (CID 112567071) is 2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine.
What is the SMILES notation for 2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine?
The canonical SMILES for 2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine is CC1CCC(C(F)(CN)C2CC2)CC1C.
What is the InChIKey of 2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine?
The InChIKey is DYHFFEXHQSRVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-9-3-4-12(7-10(9)2)13(14,8-15)11-5-6-11/h9-12H,3-8,15H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine?
2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine has a molecular weight of 213.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine is sourced from PubChem (CID 112567071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).