N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine

C15H28F3NO — CID 105165336

IUPACN-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
SMILESCCCNC(COCCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H28F3NO/c1-3-8-19-14(11-20-9-4-2)12-6-5-7-13(10-12)15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyZRLAYIKANKFNAQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.15
Rot. Bonds8

About N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine

N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine (PubChem CID 105165336) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
PubChem CID105165336
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
SMILESCCCNC(COCCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H28F3NO/c1-3-8-19-14(11-20-9-4-2)12-6-5-7-13(10-12)15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyZRLAYIKANKFNAQ-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine (CID 105165336) is N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine is CCCNC(COCCC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The InChIKey is ZRLAYIKANKFNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-3-8-19-14(11-20-9-4-2)12-6-5-7-13(10-12)15(16,17)18/h12-14,19H,3-11H2,1-2H3.
What are the key properties of N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine is sourced from PubChem (CID 105165336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).