N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine

C16H24FNO — CID 114940856

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H24FNO/c1-4-19-16(2,3)11-18-15(12-5-6-12)13-7-9-14(17)10-8-13/h7-10,12,15,18H,4-6,11H2,1-3H3
InChIKeyCEMFALONWMTKOR-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.68
Rot. Bonds7

About N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine

N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine (PubChem CID 114940856) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
PubChem CID114940856
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H24FNO/c1-4-19-16(2,3)11-18-15(12-5-6-12)13-7-9-14(17)10-8-13/h7-10,12,15,18H,4-6,11H2,1-3H3
InChIKeyCEMFALONWMTKOR-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine (CID 114940856) is N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)CNC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is CEMFALONWMTKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-19-16(2,3)11-18-15(12-5-6-12)13-7-9-14(17)10-8-13/h7-10,12,15,18H,4-6,11H2,1-3H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 114940856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).