3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C12H19FN2 — CID 84723193

IUPAC3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(CN)Cc1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-12(9-14,15(2)3)8-10-4-6-11(13)7-5-10/h4-7H,8-9,14H2,1-3H3
InChIKeyHQWFCSCYSQXXBN-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.65
Rot. Bonds4

About 3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 84723193) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID84723193
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(CN)Cc1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-12(9-14,15(2)3)8-10-4-6-11(13)7-5-10/h4-7H,8-9,14H2,1-3H3
InChIKeyHQWFCSCYSQXXBN-UHFFFAOYSA-N
XLogP1.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
CID 114831127
2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831363
3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine
CID 114831154
2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine
CID 61413159
2-N-(cyclopropylmethyl)-2-N-ethyl-3-(4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831441
2-N-(2-ethoxyethyl)-2-N-ethyl-3-(4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831420
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640274
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 113490010
3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 84752196
1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
CID 143051679

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 84723193) is 3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(CN)Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is HQWFCSCYSQXXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-12(9-14,15(2)3)8-10-4-6-11(13)7-5-10/h4-7H,8-9,14H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 84723193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).