[4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine

C18H28FN — CID 81011743

IUPAC[4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine
SMILESCc1cc(F)ccc1C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C18H28FN/c1-12-9-15(19)7-8-16(12)17-10-14(18(2,3)4)6-5-13(17)11-20/h7-9,13-14,17H,5-6,10-11,20H2,1-4H3
InChIKeyZYSPZRBTJKJSKU-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.64
Rot. Bonds2

About [4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine

[4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine (PubChem CID 81011743) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is [4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine
PubChem CID81011743
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name[4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine
SMILESCc1cc(F)ccc1C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C18H28FN/c1-12-9-15(19)7-8-16(12)17-10-14(18(2,3)4)6-5-13(17)11-20/h7-9,13-14,17H,5-6,10-11,20H2,1-4H3
InChIKeyZYSPZRBTJKJSKU-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.64
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-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine (CID 81011743) is [4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine is Cc1cc(F)ccc1C1CC(C(C)(C)C)CCC1CN.
What is the InChIKey of [4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine?
The InChIKey is ZYSPZRBTJKJSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-12-9-15(19)7-8-16(12)17-10-14(18(2,3)4)6-5-13(17)11-20/h7-9,13-14,17H,5-6,10-11,20H2,1-4H3.
What are the key properties of [4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine?
[4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine has a molecular weight of 277.43 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 81011743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).