N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine

C18H26FN — CID 10956747

IUPACN-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NC(Cc1ccc(F)cc1)C1=CCCCC1
InChIInChI=1S/C18H26FN/c1-18(2,3)20-17(15-7-5-4-6-8-15)13-14-9-11-16(19)12-10-14/h7,9-12,17,20H,4-6,8,13H2,1-3H3
InChIKeySKCFEJFUMFJNEN-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.63
Rot. Bonds4

About N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine

N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine (PubChem CID 10956747) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
PubChem CID10956747
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC NameN-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NC(Cc1ccc(F)cc1)C1=CCCCC1
InChIInChI=1S/C18H26FN/c1-18(2,3)20-17(15-7-5-4-6-8-15)13-14-9-11-16(19)12-10-14/h7,9-12,17,20H,4-6,8,13H2,1-3H3
InChIKeySKCFEJFUMFJNEN-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine (CID 10956747) is N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NC(Cc1ccc(F)cc1)C1=CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is SKCFEJFUMFJNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c1-18(2,3)20-17(15-7-5-4-6-8-15)13-14-9-11-16(19)12-10-14/h7,9-12,17,20H,4-6,8,13H2,1-3H3.
What are the key properties of N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine?
N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 275.41 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 10956747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).