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

C16H28F3NO — CID 105156849

IUPACN-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCCNC(CCC1CCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H28F3NO/c1-2-20-15(10-9-12-6-5-11-21-12)13-7-3-4-8-14(13)16(17,18)19/h12-15,20H,2-11H2,1H3
InChIKeyQXLDRGANGBWPSI-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.29
Rot. Bonds6

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

N-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 105156849) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is N-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID105156849
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC NameN-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCCNC(CCC1CCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H28F3NO/c1-2-20-15(10-9-12-6-5-11-21-12)13-7-3-4-8-14(13)16(17,18)19/h12-15,20H,2-11H2,1H3
InChIKeyQXLDRGANGBWPSI-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Difluoro-4-[1-(oxan-3-yl)propan-2-yl]pyrrolidine
CID 156072219
3,3-Difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine
CID 170414141
2-(3-Methoxycyclohexyl)-5-(trifluoromethyl)piperidine
CID 5231219
N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564
N-methyl-1-(3-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094199
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
N,4-dipropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61748332
4-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61748513
N,4-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61749328
N-ethyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61749716
4-ethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61750309
N-ethyl-4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61750885

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The IUPAC name of N-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 105156849) is N-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for N-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine is CCNC(CCC1CCCO1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is QXLDRGANGBWPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-2-20-15(10-9-12-6-5-11-21-12)13-7-3-4-8-14(13)16(17,18)19/h12-15,20H,2-11H2,1H3.
What are the key properties of N-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
N-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 105156849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).