N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine

C14H23F2NO — CID 105179251

IUPACN-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2NO/c1-2-17-13(12-4-3-9-18-10-12)11-5-7-14(15,16)8-6-11/h10-11,13,17H,2-9H2,1H3
InChIKeyJLLOFHGKEHALKQ-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.48
Rot. Bonds4

About N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine

N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine (PubChem CID 105179251) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
PubChem CID105179251
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC NameN-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2NO/c1-2-17-13(12-4-3-9-18-10-12)11-5-7-14(15,16)8-6-11/h10-11,13,17H,2-9H2,1H3
InChIKeyJLLOFHGKEHALKQ-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312261
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312262
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517059
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104058658
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 104058659
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 104058660
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 104059227
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104059228
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104059229
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 105033381
N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105179253
N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179256

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine (CID 105179251) is N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine is CCNC(C1=COCCC1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine?
The InChIKey is JLLOFHGKEHALKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-2-17-13(12-4-3-9-18-10-12)11-5-7-14(15,16)8-6-11/h10-11,13,17H,2-9H2,1H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine?
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine has a molecular weight of 259.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine is sourced from PubChem (CID 105179251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).