4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine

C18H28FN — CID 63401443

IUPAC4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1Cc1cccc(F)c1
InChIInChI=1S/C18H28FN/c1-18(2,3)15-8-9-17(20-4)14(12-15)10-13-6-5-7-16(19)11-13/h5-7,11,14-15,17,20H,8-10,12H2,1-4H3
InChIKeyKCUPUGQQXIGBMK-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.42
Rot. Bonds3

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

4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 63401443) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID63401443
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1Cc1cccc(F)c1
InChIInChI=1S/C18H28FN/c1-18(2,3)15-8-9-17(20-4)14(12-15)10-13-6-5-7-16(19)11-13/h5-7,11,14-15,17,20H,8-10,12H2,1-4H3
InChIKeyKCUPUGQQXIGBMK-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 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 ≤ 54.42
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-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine (CID 63401443) is 4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1Cc1cccc(F)c1.
What is the InChIKey of 4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is KCUPUGQQXIGBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-18(2,3)15-8-9-17(20-4)14(12-15)10-13-6-5-7-16(19)11-13/h5-7,11,14-15,17,20H,8-10,12H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.42, 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-fluorophenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63401443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).