2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine

C16H28FN3 — CID 114831424

IUPAC2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(C)CCCN(C)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C16H28FN3/c1-16(13-18,20(4)10-6-9-19(2)3)12-14-7-5-8-15(17)11-14/h5,7-8,11H,6,9-10,12-13,18H2,1-4H3
InChIKeySDAHASBUOCSOQX-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.97
Rot. Bonds8

About 2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine

2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 114831424) has the molecular formula C16H28FN3 and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID114831424
Molecular FormulaC16H28FN3
Molecular Weight281.42 g/mol
Exact Mass281.23
IUPAC Name2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(C)CCCN(C)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C16H28FN3/c1-16(13-18,20(4)10-6-9-19(2)3)12-14-7-5-8-15(17)11-14/h5,7-8,11H,6,9-10,12-13,18H2,1-4H3
InChIKeySDAHASBUOCSOQX-UHFFFAOYSA-N
XLogP1.97
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831415
3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831179
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 114831430
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114831044
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 114831216
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine
CID 114831009
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 114831246
2-N-cyclohexyl-2-N-ethyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831000
N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106707877
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 114831173

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 114831424) is 2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is CN(C)CCCN(C)C(C)(CN)Cc1cccc(F)c1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is SDAHASBUOCSOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3/c1-16(13-18,20(4)10-6-9-19(2)3)12-14-7-5-8-15(17)11-14/h5,7-8,11H,6,9-10,12-13,18H2,1-4H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 281.42 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 114831424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).