N-[(2-fluorophenyl)methyl]propan-2-amine

C10H14FN — CID 17156261

IUPACN-[(2-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1F
InChIInChI=1S/C10H14FN/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8,12H,7H2,1-2H3
InChIKeyKECOIFWUUTVTTN-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.32
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]propan-2-amine

N-[(2-fluorophenyl)methyl]propan-2-amine (PubChem CID 17156261) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]propan-2-amine
PubChem CID17156261
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC NameN-[(2-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1F
InChIInChI=1S/C10H14FN/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8,12H,7H2,1-2H3
InChIKeyKECOIFWUUTVTTN-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]propan-2-amine (CID 17156261) is N-[(2-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]propan-2-amine is CC(C)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]propan-2-amine?
The InChIKey is KECOIFWUUTVTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8,12H,7H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]propan-2-amine?
N-[(2-fluorophenyl)methyl]propan-2-amine has a molecular weight of 167.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 17156261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).