N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

C15H24F3NO — CID 102653035

IUPACN-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H24F3NO/c1-2-9-19-14(13-4-3-10-20-13)11-5-7-12(8-6-11)15(16,17)18/h4,11-12,14,19H,2-3,5-10H2,1H3
InChIKeyKZLUUHPDRHZVLV-UHFFFAOYSA-N
MW291.36 g/mol
LogP4.03
Rot. Bonds5

About N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 102653035) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID102653035
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC NameN-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H24F3NO/c1-2-9-19-14(13-4-3-10-20-13)11-5-7-12(8-6-11)15(16,17)18/h4,11-12,14,19H,2-3,5-10H2,1H3
InChIKeyKZLUUHPDRHZVLV-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine
CID 91097016
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648765
N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648859
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648887
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102648944
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649283
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102649388
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102649506
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649615
N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649626
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634
1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652898

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (CID 102653035) is N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is CCCNC(C1=CCCO1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is KZLUUHPDRHZVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO/c1-2-9-19-14(13-4-3-10-20-13)11-5-7-12(8-6-11)15(16,17)18/h4,11-12,14,19H,2-3,5-10H2,1H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 291.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 102653035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).