2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine

C12H16FN — CID 123187659

IUPAC2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine
SMILES[H]/N=C/C(C)c1cccc(C(C)(C)F)c1
InChIInChI=1S/C12H16FN/c1-9(8-14)10-5-4-6-11(7-10)12(2,3)13/h4-9,14H,1-3H3/b14-8+
InChIKeyBZIPEVLGJVMPFX-RIYZIHGNSA-N
MW193.27 g/mol
LogP3.64
Rot. Bonds3

About 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine

2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine (PubChem CID 123187659) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine.

Molecular Properties

Compound Name2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine
PubChem CID123187659
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine
SMILES[H]/N=C/C(C)c1cccc(C(C)(C)F)c1
InChIInChI=1S/C12H16FN/c1-9(8-14)10-5-4-6-11(7-10)12(2,3)13/h4-9,14H,1-3H3/b14-8+
InChIKeyBZIPEVLGJVMPFX-RIYZIHGNSA-N
XLogP3.64
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine
CID 84666450
1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol
CID 164919043
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate
CID 117353293
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene
CID 56993717
(1S)-1-(3-tert-butylphenyl)-2,2,2-trifluoroethanamine
CID 66510224
chloromethane;(1R)-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanamine
CID 164589400
2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 79054171
trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 22373348
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine?
The IUPAC name of 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine (CID 123187659) is 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine.
What is the SMILES notation for 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine?
The canonical SMILES for 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine is [H]/N=C/C(C)c1cccc(C(C)(C)F)c1.
What is the InChIKey of 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine?
The InChIKey is BZIPEVLGJVMPFX-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H16FN/c1-9(8-14)10-5-4-6-11(7-10)12(2,3)13/h4-9,14H,1-3H3/b14-8+.
What are the key properties of 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine?
2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine has a molecular weight of 193.27 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine is sourced from PubChem (CID 123187659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).