1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine

C14H23FN2O — CID 107505636

IUPAC1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
SMILESCCCNC(COC)CN(C)c1ccccc1F
InChIInChI=1S/C14H23FN2O/c1-4-9-16-12(11-18-3)10-17(2)14-8-6-5-7-13(14)15/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyZVVZHDCUZZXURF-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.28
Rot. Bonds8

About 1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine

1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine (PubChem CID 107505636) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
PubChem CID107505636
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
SMILESCCCNC(COC)CN(C)c1ccccc1F
InChIInChI=1S/C14H23FN2O/c1-4-9-16-12(11-18-3)10-17(2)14-8-6-5-7-13(14)15/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyZVVZHDCUZZXURF-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505692
1-N-(2-methoxyphenyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62041445
3-methoxy-1-N-methyl-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505365
1-N-cyclobutyl-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505949
ethyl 4-(2-fluoro-N-methylanilino)-2-(propylamino)butanoate
CID 63053989
3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 63009989
4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine
CID 112652674
2-fluoro-N-methyl-N-propylaniline
CID 67818828
1-[2-[1-(ethylamino)ethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 54994046
3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
3-methoxy-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylpropane-1,2-diamine
CID 107505276
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 63352621

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine (CID 107505636) is 1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine is CCCNC(COC)CN(C)c1ccccc1F.
What is the InChIKey of 1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine?
The InChIKey is ZVVZHDCUZZXURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-9-16-12(11-18-3)10-17(2)14-8-6-5-7-13(14)15/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of 1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine?
1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 107505636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).