3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine

C11H15F2N — CID 83808870

IUPAC3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2N/c1-11(2,7-14)6-8-3-9(12)5-10(13)4-8/h3-5H,6-7,14H2,1-2H3
InChIKeyJSXVUGFLPOWBKY-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.49
Rot. Bonds3

About 3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine

3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 83808870) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID83808870
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2N/c1-11(2,7-14)6-8-3-9(12)5-10(13)4-8/h3-5H,6-7,14H2,1-2H3
InChIKeyJSXVUGFLPOWBKY-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 105408136
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene
CID 105411138
2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 106508343
4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol
CID 20536288
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62740976
3-amino-2-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 105411814
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol
CID 105410774
3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 95447001
N'-[(3-bromo-5-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79702116
3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
CID 56687188

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine (CID 83808870) is 3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine is CC(C)(CN)Cc1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is JSXVUGFLPOWBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-11(2,7-14)6-8-3-9(12)5-10(13)4-8/h3-5H,6-7,14H2,1-2H3.
What are the key properties of 3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine?
3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 83808870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).