1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine

C11H17FN2 — CID 116933473

IUPAC1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)C(N)c1ccccc1F
InChIInChI=1S/C11H17FN2/c1-11(2,7-13)10(14)8-5-3-4-6-9(8)12/h3-6,10H,7,13-14H2,1-2H3
InChIKeyFHEVRTSUTAUUQD-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.81
Rot. Bonds3

About 1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine

1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 116933473) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID116933473
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)C(N)c1ccccc1F
InChIInChI=1S/C11H17FN2/c1-11(2,7-13)10(14)8-5-3-4-6-9(8)12/h3-6,10H,7,13-14H2,1-2H3
InChIKeyFHEVRTSUTAUUQD-UHFFFAOYSA-N
XLogP1.81
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482
(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
CID 103693865
1-(4-fluorophenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933363
2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol
CID 79137948
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
1-(2-fluorophenyl)propan-1-amine
CID 18439474
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluorophenol;hydrochloride
CID 171245849
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
CID 116933418
1-N-[1-(2-fluorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452582
(3S)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241172

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine (CID 116933473) is 1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine is CC(C)(CN)C(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is FHEVRTSUTAUUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-11(2,7-13)10(14)8-5-3-4-6-9(8)12/h3-6,10H,7,13-14H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine?
1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116933473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).