N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine

C18H27F2N — CID 115998836

IUPACN-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC(NC1CC(C)(C)CC(C)(C)C1)c1c(F)cccc1F
InChIInChI=1S/C18H27F2N/c1-12(16-14(19)7-6-8-15(16)20)21-13-9-17(2,3)11-18(4,5)10-13/h6-8,12-13,21H,9-11H2,1-5H3
InChIKeyMCGHNYQIJBRQLY-UHFFFAOYSA-N
MW295.42 g/mol
LogP5.22
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine

N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 115998836) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID115998836
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC(NC1CC(C)(C)CC(C)(C)C1)c1c(F)cccc1F
InChIInChI=1S/C18H27F2N/c1-12(16-14(19)7-6-8-15(16)20)21-13-9-17(2,3)11-18(4,5)10-13/h6-8,12-13,21H,9-11H2,1-5H3
InChIKeyMCGHNYQIJBRQLY-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-[1-(2,6-difluorophenyl)ethyl]-5,5-dimethylthian-3-amine
CID 79958305
N-[1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998614
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961009
4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62314218
N-[1-(2,6-difluorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81321511
3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 103961012
N-[1-(3-fluorophenyl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114830677
N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine
CID 63360319
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine
CID 112568297
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961016
N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073904
N-[1-(2,6-difluorophenyl)ethyl]-1,1-dioxothian-3-amine
CID 63922629

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 115998836) is N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine is CC(NC1CC(C)(C)CC(C)(C)C1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is MCGHNYQIJBRQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-12(16-14(19)7-6-8-15(16)20)21-13-9-17(2,3)11-18(4,5)10-13/h6-8,12-13,21H,9-11H2,1-5H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 115998836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).