1-(4-fluorophenyl)-N-methylpropan-2-amine

C10H14FN — CID 11745017

IUPAC1-(4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C10H14FN/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyYCWZPIHKUYZTFM-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.98
Rot. Bonds3

About 1-(4-fluorophenyl)-N-methylpropan-2-amine

1-(4-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 11745017) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methylpropan-2-amine
PubChem CID11745017
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name1-(4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C10H14FN/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyYCWZPIHKUYZTFM-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methylpropan-2-amine (CID 11745017) is 1-(4-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methylpropan-2-amine is CNC(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is YCWZPIHKUYZTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methylpropan-2-amine?
1-(4-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 167.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 11745017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).