4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine

C18H27F2N — CID 105404547

IUPAC4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H27F2N/c1-18(2,3)14-5-6-17(21-4)13(10-14)7-12-8-15(19)11-16(20)9-12/h8-9,11,13-14,17,21H,5-7,10H2,1-4H3
InChIKeyFSTWUXXPWVCWQJ-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.56
Rot. Bonds3

About 4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine

4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 105404547) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is 4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID105404547
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H27F2N/c1-18(2,3)14-5-6-17(21-4)13(10-14)7-12-8-15(19)11-16(20)9-12/h8-9,11,13-14,17,21H,5-7,10H2,1-4H3
InChIKeyFSTWUXXPWVCWQJ-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine (CID 105404547) is 4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is FSTWUXXPWVCWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-18(2,3)14-5-6-17(21-4)13(10-14)7-12-8-15(19)11-16(20)9-12/h8-9,11,13-14,17,21H,5-7,10H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine?
4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 105404547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).