2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine

C18H27F2N — CID 43673897

IUPAC2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCCC1C(C)(C)C)c1c(F)cccc1F
InChIInChI=1S/C18H27F2N/c1-12(17-14(19)9-7-10-15(17)20)21-16-11-6-5-8-13(16)18(2,3)4/h7,9-10,12-13,16,21H,5-6,8,11H2,1-4H3
InChIKeyNMFQEQKLNSRMRN-UHFFFAOYSA-N
MW295.42 g/mol
LogP5.22
Rot. Bonds3

About 2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine

2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine (PubChem CID 43673897) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine
PubChem CID43673897
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCCC1C(C)(C)C)c1c(F)cccc1F
InChIInChI=1S/C18H27F2N/c1-12(17-14(19)9-7-10-15(17)20)21-16-11-6-5-8-13(16)18(2,3)4/h7,9-10,12-13,16,21H,5-6,8,11H2,1-4H3
InChIKeyNMFQEQKLNSRMRN-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

2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364809
2-tert-butyl-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81369390
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43078909
N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 43673221
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43079642
2-tert-butyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81389693
N-[1-(2,6-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 63449012
N-(2-tert-butylcyclohexyl)-3-fluoro-2-methylaniline
CID 55191425
N-[1-(2,6-difluorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81321511
2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine
CID 43673911
N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364354

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine (CID 43673897) is 2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine is CC(NC1CCCCC1C(C)(C)C)c1c(F)cccc1F.
What is the InChIKey of 2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine?
The InChIKey is NMFQEQKLNSRMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-12(17-14(19)9-7-10-15(17)20)21-16-11-6-5-8-13(16)18(2,3)4/h7,9-10,12-13,16,21H,5-6,8,11H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine?
2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-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 2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43673897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).