4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine

C17H26FN — CID 107129553

IUPAC4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine
SMILESCc1ccc(C2CC(C(C)(C)C)CCC2N)cc1F
InChIInChI=1S/C17H26FN/c1-11-5-6-12(9-15(11)18)14-10-13(17(2,3)4)7-8-16(14)19/h5-6,9,13-14,16H,7-8,10,19H2,1-4H3
InChIKeyNMABOTLUDJMJTK-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.39
Rot. Bonds1

About 4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine

4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine (PubChem CID 107129553) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine
PubChem CID107129553
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine
SMILESCc1ccc(C2CC(C(C)(C)C)CCC2N)cc1F
InChIInChI=1S/C17H26FN/c1-11-5-6-12(9-15(11)18)14-10-13(17(2,3)4)7-8-16(14)19/h5-6,9,13-14,16H,7-8,10,19H2,1-4H3
InChIKeyNMABOTLUDJMJTK-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.39
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-fluoro-4-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine (CID 107129553) is 4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine is Cc1ccc(C2CC(C(C)(C)C)CCC2N)cc1F.
What is the InChIKey of 4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine?
The InChIKey is NMABOTLUDJMJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-11-5-6-12(9-15(11)18)14-10-13(17(2,3)4)7-8-16(14)19/h5-6,9,13-14,16H,7-8,10,19H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine?
4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.39, 1 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-fluoro-4-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 107129553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).