2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

C12H22F3NO — CID 105165490

IUPAC2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCCOCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-7-17-8-11(16)9-3-5-10(6-4-9)12(13,14)15/h9-11H,2-8,16H2,1H3
InChIKeyUHUBPUOMVYUXKH-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.11
Rot. Bonds5

About 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105165490) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105165490
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCCOCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-7-17-8-11(16)9-3-5-10(6-4-9)12(13,14)15/h9-11H,2-8,16H2,1H3
InChIKeyUHUBPUOMVYUXKH-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4,4-Difluorocyclohexyl)-2-ethoxyethan-1-amine hydrochloride
CID 155821550
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
3-Amino-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol
CID 69826100
6-[4-(Difluoromethyl)cyclohexyl]oxan-3-amine
CID 70843048
4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16783389
4-Ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
CID 45283046
[4-Propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036534
N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
4-Propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61064378
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490290

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (CID 105165490) is 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is CCCOCC(N)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is UHUBPUOMVYUXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-7-17-8-11(16)9-3-5-10(6-4-9)12(13,14)15/h9-11H,2-8,16H2,1H3.
What are the key properties of 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105165490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).