3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine

C11H16FN — CID 62739574

IUPAC3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)Cc1ccccc1F
InChIInChI=1S/C11H16FN/c1-11(2,8-13)7-9-5-3-4-6-10(9)12/h3-6H,7-8,13H2,1-2H3
InChIKeyDZTKODOCXMQLSH-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.35
Rot. Bonds3

About 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine

3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 62739574) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID62739574
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)Cc1ccccc1F
InChIInChI=1S/C11H16FN/c1-11(2,8-13)7-9-5-3-4-6-10(9)12/h3-6H,7-8,13H2,1-2H3
InChIKeyDZTKODOCXMQLSH-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine
CID 62724113
3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 79627948
3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
CID 114835046
2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831552
3-(2-fluorophenyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62723351
3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84746068
3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine
CID 114831558
2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831540
2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
CID 114831591
1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol
CID 84720909

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine (CID 62739574) is 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine is CC(C)(CN)Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is DZTKODOCXMQLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-11(2,8-13)7-9-5-3-4-6-10(9)12/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine?
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 62739574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).