2-(4-fluorophenyl)propan-2-amine

C9H12FN — CID 13025665

IUPAC2-(4-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(F)cc1
InChIInChI=1S/C9H12FN/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6H,11H2,1-2H3
InChIKeyNYFSRXOWJXAHOO-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.02
Rot. Bonds1

About 2-(4-fluorophenyl)propan-2-amine

2-(4-fluorophenyl)propan-2-amine (PubChem CID 13025665) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 2-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)propan-2-amine
PubChem CID13025665
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name2-(4-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(F)cc1
InChIInChI=1S/C9H12FN/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6H,11H2,1-2H3
InChIKeyNYFSRXOWJXAHOO-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127925
(1S)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127984
1-fluoro-4-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 22572271
2-(4-fluorophenyl)propane-1,2-diamine
CID 116855534
1-(4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 60799030
CID 87894107
CID 87894107
2-(4-fluorophenyl)propan-2-ol
CID 637733
2-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-2-amine
CID 118201808
2-[4-(difluoromethyl)phenyl]propan-2-amine
CID 117280197
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903
1-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62787435
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(4-fluorophenyl)propan-2-amine (CID 13025665) is 2-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(4-fluorophenyl)propan-2-amine is CC(C)(N)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)propan-2-amine?
The InChIKey is NYFSRXOWJXAHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6H,11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)propan-2-amine?
2-(4-fluorophenyl)propan-2-amine has a molecular weight of 153.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 13025665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).