2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine

C15H25FN2O — CID 102883068

IUPAC2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCOc1ccc(CNC(C)CNCC(C)C)c(F)c1
InChIInChI=1S/C15H25FN2O/c1-11(2)8-17-9-12(3)18-10-13-5-6-14(19-4)7-15(13)16/h5-7,11-12,17-18H,8-10H2,1-4H3
InChIKeyZEVAYSSGSJIKNP-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.56
Rot. Bonds8

About 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine

2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 102883068) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID102883068
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCOc1ccc(CNC(C)CNCC(C)C)c(F)c1
InChIInChI=1S/C15H25FN2O/c1-11(2)8-17-9-12(3)18-10-13-5-6-14(19-4)7-15(13)16/h5-7,11-12,17-18H,8-10H2,1-4H3
InChIKeyZEVAYSSGSJIKNP-UHFFFAOYSA-N
XLogP2.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102876592
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 103757279
4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 113357039
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
1-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylpentan-3-amine
CID 114177538
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
CID 107814945
2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876471
3-[(2-fluoro-4-methoxyphenyl)methylamino]-2-methylsulfanylbutan-1-ol
CID 106160629
3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 102876674
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893765

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine (CID 102883068) is 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine is COc1ccc(CNC(C)CNCC(C)C)c(F)c1.
What is the InChIKey of 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is ZEVAYSSGSJIKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-11(2)8-17-9-12(3)18-10-13-5-6-14(19-4)7-15(13)16/h5-7,11-12,17-18H,8-10H2,1-4H3.
What are the key properties of 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine?
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 102883068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).