1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

C13H21FN2O — CID 114058272

IUPAC1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCOCC(C)N(C)CC(N)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-10(9-17-3)16(2)8-13(15)11-6-4-5-7-12(11)14/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeySBWQLYAZODWTHR-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.79
Rot. Bonds6

About 1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 114058272) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
PubChem CID114058272
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCOCC(C)N(C)CC(N)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-10(9-17-3)16(2)8-13(15)11-6-4-5-7-12(11)14/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeySBWQLYAZODWTHR-UHFFFAOYSA-N
XLogP1.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61451424
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81101528
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62979148
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268
1-(2,4-dimethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453473
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-(2-fluorophenyl)-N'-(2-methoxyethyl)-N',2-dimethylpropane-1,3-diamine
CID 112679868
1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol
CID 115996898
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505692
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 61451426

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (CID 114058272) is 1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is COCC(C)N(C)CC(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is SBWQLYAZODWTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10(9-17-3)16(2)8-13(15)11-6-4-5-7-12(11)14/h4-7,10,13H,8-9,15H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 240.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 114058272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).