3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine

C17H23FN2S — CID 114831246

IUPAC3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
SMILESCC(c1cccs1)N(C)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C17H23FN2S/c1-13(16-8-5-9-21-16)20(3)17(2,12-19)11-14-6-4-7-15(18)10-14/h4-10,13H,11-12,19H2,1-3H3
InChIKeyIEANXCHDBPWDMV-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.84
Rot. Bonds6

About 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine

3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine (PubChem CID 114831246) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
PubChem CID114831246
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC Name3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
SMILESCC(c1cccs1)N(C)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C17H23FN2S/c1-13(16-8-5-9-21-16)20(3)17(2,12-19)11-14-6-4-7-15(18)10-14/h4-10,13H,11-12,19H2,1-3H3
InChIKeyIEANXCHDBPWDMV-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114831044
2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831424
2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine
CID 114831009
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
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574524
3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
CID 114831127
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 114831430
2-N-cyclohexyl-2-N-ethyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831000
2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine
CID 114992436

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine?
The IUPAC name of 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine (CID 114831246) is 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine?
The canonical SMILES for 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine is CC(c1cccs1)N(C)C(C)(CN)Cc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine?
The InChIKey is IEANXCHDBPWDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-13(16-8-5-9-21-16)20(3)17(2,12-19)11-14-6-4-7-15(18)10-14/h4-10,13H,11-12,19H2,1-3H3.
What are the key properties of 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine?
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine has a molecular weight of 306.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 114831246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).