2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine

C17H25F2N — CID 43433182

IUPAC2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCc1ccc(F)cc1F
InChIInChI=1S/C17H25F2N/c1-17(2,3)14-6-4-5-7-16(14)20-11-12-8-9-13(18)10-15(12)19/h8-10,14,16,20H,4-7,11H2,1-3H3
InChIKeyJCKRRLQGMDIWME-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.66
Rot. Bonds3

About 2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine

2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 43433182) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
PubChem CID43433182
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCc1ccc(F)cc1F
InChIInChI=1S/C17H25F2N/c1-17(2,3)14-6-4-5-7-16(14)20-11-12-8-9-13(18)10-15(12)19/h8-10,14,16,20H,4-7,11H2,1-3H3
InChIKeyJCKRRLQGMDIWME-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 62223825
2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365303
N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62134250
N-[(2,4-difluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908869
N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 66160658
N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995268
N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 43433174
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835366
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 114349118
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467
(3R,4S)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine;(3S,4R)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 159445315

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine (CID 43433182) is 2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine is CC(C)(C)C1CCCCC1NCc1ccc(F)cc1F.
What is the InChIKey of 2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is JCKRRLQGMDIWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-17(2,3)14-6-4-5-7-16(14)20-11-12-8-9-13(18)10-15(12)19/h8-10,14,16,20H,4-7,11H2,1-3H3.
What are the key properties of 2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine?
2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.66, 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-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43433182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).