1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine

C12H18FN — CID 84666435

IUPAC1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine
SMILESCC(N)c1cccc(CC(C)(C)F)c1
InChIInChI=1S/C12H18FN/c1-9(14)11-6-4-5-10(7-11)8-12(2,3)13/h4-7,9H,8,14H2,1-3H3
InChIKeyKQGOSKIZEHJEGS-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.00
Rot. Bonds3

About 1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine

1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine (PubChem CID 84666435) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine
PubChem CID84666435
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine
SMILESCC(N)c1cccc(CC(C)(C)F)c1
InChIInChI=1S/C12H18FN/c1-9(14)11-6-4-5-10(7-11)8-12(2,3)13/h4-7,9H,8,14H2,1-3H3
InChIKeyKQGOSKIZEHJEGS-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine
CID 117320874
1-(3-propylphenyl)ethanamine
CID 116543909
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
1-(3-benzylphenyl)ethanamine
CID 69109207
1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine
CID 117343526
O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine
CID 117302040
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 165439850
2-[3-(1-aminoethyl)phenyl]acetic acid
CID 55283105
(2-fluoro-2-methylpropyl)benzene
CID 14343442
chloromethane;(1R)-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanamine
CID 164589400
(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 78996560

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine (CID 84666435) is 1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine is CC(N)c1cccc(CC(C)(C)F)c1.
What is the InChIKey of 1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine?
The InChIKey is KQGOSKIZEHJEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9(14)11-6-4-5-10(7-11)8-12(2,3)13/h4-7,9H,8,14H2,1-3H3.
What are the key properties of 1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine?
1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine has a molecular weight of 195.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 84666435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).