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

C14H20FN — CID 62714240

IUPACN-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CC1c1ccc(F)cc1
InChIInChI=1S/C14H20FN/c1-10(2)8-16-9-12-7-14(12)11-3-5-13(15)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyZCGNOFUTCSMGLU-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.17
Rot. Bonds5

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

N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 62714240) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID62714240
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CC1c1ccc(F)cc1
InChIInChI=1S/C14H20FN/c1-10(2)8-16-9-12-7-14(12)11-3-5-13(15)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyZCGNOFUTCSMGLU-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 62714240) is N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CC1c1ccc(F)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZCGNOFUTCSMGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10(2)8-16-9-12-7-14(12)11-3-5-13(15)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3.
What are the key properties of N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62714240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).