1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine

C15H25FN2O2S — CID 115997000

IUPAC1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
SMILESCNC(c1ccccc1F)C(C)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C15H25FN2O2S/c1-12(11-18(3)9-10-21(4,19)20)15(17-2)13-7-5-6-8-14(13)16/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyUKFCRTWJZIXHJK-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.70
Rot. Bonds8

About 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine

1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine (PubChem CID 115997000) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
PubChem CID115997000
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
SMILESCNC(c1ccccc1F)C(C)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C15H25FN2O2S/c1-12(11-18(3)9-10-21(4,19)20)15(17-2)13-7-5-6-8-14(13)16/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyUKFCRTWJZIXHJK-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
CID 115997188
N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 115996979
1-(2-fluorophenyl)-N'-(3-methoxypropyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115996926
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115996809
N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996733
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
CID 115996740
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 115996737
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115996833
N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115996806
N'-(2-ethoxyethyl)-N-ethyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115997007

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine (CID 115997000) is 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine is CNC(c1ccccc1F)C(C)CN(C)CCS(C)(=O)=O.
What is the InChIKey of 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine?
The InChIKey is UKFCRTWJZIXHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-12(11-18(3)9-10-21(4,19)20)15(17-2)13-7-5-6-8-14(13)16/h5-8,12,15,17H,9-11H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine?
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine has a molecular weight of 316.44 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine is sourced from PubChem (CID 115997000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).