N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine

C18H27F2N — CID 79515623

IUPACN-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)cccc1F)C1CCCCC1CC
InChIInChI=1S/C18H27F2N/c1-3-12-21-18(14-9-6-5-8-13(14)4-2)17-15(19)10-7-11-16(17)20/h7,10-11,13-14,18,21H,3-6,8-9,12H2,1-2H3
InChIKeyWGBVAWFAAYESGN-UHFFFAOYSA-N
MW295.42 g/mol
LogP5.22
Rot. Bonds6

About N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine

N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 79515623) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID79515623
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)cccc1F)C1CCCCC1CC
InChIInChI=1S/C18H27F2N/c1-3-12-21-18(14-9-6-5-8-13(14)4-2)17-15(19)10-7-11-16(17)20/h7,10-11,13-14,18,21H,3-6,8-9,12H2,1-2H3
InChIKeyWGBVAWFAAYESGN-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63861829
N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 63863279
N-[(2-ethylcyclohexyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63861308
N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine
CID 65409865
N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 106692125
N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352954
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 105151132
N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522643
N-[(2-ethylcyclohexyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105151161
N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 115862665
N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 106857704
N-[(2-ethylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531056

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine (CID 79515623) is N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine is CCCNC(c1c(F)cccc1F)C1CCCCC1CC.
What is the InChIKey of N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is WGBVAWFAAYESGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-3-12-21-18(14-9-6-5-8-13(14)4-2)17-15(19)10-7-11-16(17)20/h7,10-11,13-14,18,21H,3-6,8-9,12H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 79515623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).