3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine

C12H18FN — CID 62724113

IUPAC3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)Cc1ccccc1F
InChIInChI=1S/C12H18FN/c1-12(2,9-14-3)8-10-6-4-5-7-11(10)13/h4-7,14H,8-9H2,1-3H3
InChIKeyRLIJLSWCCIQCHZ-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.61
Rot. Bonds4

About 3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine

3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 62724113) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID62724113
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)Cc1ccccc1F
InChIInChI=1S/C12H18FN/c1-12(2,9-14-3)8-10-6-4-5-7-11(10)13/h4-7,14H,8-9H2,1-3H3
InChIKeyRLIJLSWCCIQCHZ-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluorophenyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62723351
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 104794636
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81021988
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile
CID 114831782
3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62723528
N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
CID 110472861
2-(2-fluorophenyl)-1-(methylamino)propan-2-ol
CID 62774362
2-[(2-fluorophenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 63509772
6-(2-fluorophenyl)-5,5-dimethylhexane-1-sulfonic acid
CID 58052753

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine (CID 62724113) is 3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine is CNCC(C)(C)Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is RLIJLSWCCIQCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-12(2,9-14-3)8-10-6-4-5-7-11(10)13/h4-7,14H,8-9H2,1-3H3.
What are the key properties of 3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine?
3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 62724113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).