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

C12H18FN — CID 84666450

IUPAC2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine
SMILESCC(CN)c1cccc(C(C)(C)F)c1
InChIInChI=1S/C12H18FN/c1-9(8-14)10-5-4-6-11(7-10)12(2,3)13/h4-7,9H,8,14H2,1-3H3
InChIKeyPHFFCKNRVDDOEP-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.95
Rot. Bonds3

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

2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine (PubChem CID 84666450) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine
PubChem CID84666450
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine
SMILESCC(CN)c1cccc(C(C)(C)F)c1
InChIInChI=1S/C12H18FN/c1-9(8-14)10-5-4-6-11(7-10)12(2,3)13/h4-7,9H,8,14H2,1-3H3
InChIKeyPHFFCKNRVDDOEP-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(1,1-difluoro-2-methylpropyl)phenyl]propan-1-amine
CID 116992645
2-[3-(fluoromethyl)phenyl]propan-1-amine
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4-(3-tert-butylphenyl)pentan-1-amine
CID 66582210
CID 23527699
CID 23527699
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide
CID 164942055
2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992716
2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine
CID 123187659
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate
CID 117353293
3-(1-aminopropan-2-yl)-N,N-diethylaniline
CID 117295299
3-(1-aminopropan-2-yl)benzoic acid
CID 55255769

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine?
The IUPAC name of 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine (CID 84666450) is 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine?
The canonical SMILES for 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine is CC(CN)c1cccc(C(C)(C)F)c1.
What is the InChIKey of 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine?
The InChIKey is PHFFCKNRVDDOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9(8-14)10-5-4-6-11(7-10)12(2,3)13/h4-7,9H,8,14H2,1-3H3.
What are the key properties of 2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine?
2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.95, 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-amine is sourced from PubChem (CID 84666450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).