2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine

C13H23F2N — CID 105152813

IUPAC2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
SMILESCCNC(CC1CC1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2N/c1-2-16-12(9-10-3-4-10)11-5-7-13(14,15)8-6-11/h10-12,16H,2-9H2,1H3
InChIKeyZBUGPRAROWSZNX-UHFFFAOYSA-N
MW231.33 g/mol
LogP3.59
Rot. Bonds5

About 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine

2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine (PubChem CID 105152813) has the molecular formula C13H23F2N and a molecular weight of 231.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
PubChem CID105152813
Molecular FormulaC13H23F2N
Molecular Weight231.33 g/mol
Exact Mass231.18
IUPAC Name2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
SMILESCCNC(CC1CC1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2N/c1-2-16-12(9-10-3-4-10)11-5-7-13(14,15)8-6-11/h10-12,16H,2-9H2,1H3
InChIKeyZBUGPRAROWSZNX-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391637
N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine
CID 105138999
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
CID 105165589
1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine
CID 105165065
1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine
CID 105153076
1,2-di(cyclobutyl)-N-ethylethanamine
CID 65456991
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine
CID 105102951
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105122810
1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
CID 62600215
1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105078

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
The IUPAC name of 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine (CID 105152813) is 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
The canonical SMILES for 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine is CCNC(CC1CC1)C1CCC(F)(F)CC1.
What is the InChIKey of 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
The InChIKey is ZBUGPRAROWSZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N/c1-2-16-12(9-10-3-4-10)11-5-7-13(14,15)8-6-11/h10-12,16H,2-9H2,1H3.
What are the key properties of 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine has a molecular weight of 231.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine is sourced from PubChem (CID 105152813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).