[4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine

C18H28FN — CID 81012146

IUPAC[4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(Cc2ccccc2F)C1
InChIInChI=1S/C18H28FN/c1-18(2,3)16-9-8-14(12-20)15(11-16)10-13-6-4-5-7-17(13)19/h4-7,14-16H,8-12,20H2,1-3H3
InChIKeyVFRULEHUIWLXEO-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.41
Rot. Bonds3

About [4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine

[4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine (PubChem CID 81012146) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is [4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine
PubChem CID81012146
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name[4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(Cc2ccccc2F)C1
InChIInChI=1S/C18H28FN/c1-18(2,3)16-9-8-14(12-20)15(11-16)10-13-6-4-5-7-17(13)19/h4-7,14-16H,8-12,20H2,1-3H3
InChIKeyVFRULEHUIWLXEO-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.41
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-[(2-fluorophenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine (CID 81012146) is [4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)C(Cc2ccccc2F)C1.
What is the InChIKey of [4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine?
The InChIKey is VFRULEHUIWLXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-18(2,3)16-9-8-14(12-20)15(11-16)10-13-6-4-5-7-17(13)19/h4-7,14-16H,8-12,20H2,1-3H3.
What are the key properties of [4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine?
[4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine has a molecular weight of 277.43 g/mol, XLogP of 4.41, 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-[(2-fluorophenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81012146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).