2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine

C12H18F2N2O — CID 115131971

IUPAC2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
SMILESCOc1cc(F)c(CNC(C)(C)CN)cc1F
InChIInChI=1S/C12H18F2N2O/c1-12(2,7-15)16-6-8-4-10(14)11(17-3)5-9(8)13/h4-5,16H,6-7,15H2,1-3H3
InChIKeyONJITZKHMJFJBM-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.80
Rot. Bonds5

About 2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine

2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine (PubChem CID 115131971) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
PubChem CID115131971
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
SMILESCOc1cc(F)c(CNC(C)(C)CN)cc1F
InChIInChI=1S/C12H18F2N2O/c1-12(2,7-15)16-6-8-4-10(14)11(17-3)5-9(8)13/h4-5,16H,6-7,15H2,1-3H3
InChIKeyONJITZKHMJFJBM-UHFFFAOYSA-N
XLogP1.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115134092
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
2-N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131913
2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131889
N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205877
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163429
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190275
1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949070
3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214125
3-N-[(2,5-difluorophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134701
2-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]-2-methylpropanenitrile
CID 115129623

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine (CID 115131971) is 2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine is COc1cc(F)c(CNC(C)(C)CN)cc1F.
What is the InChIKey of 2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine?
The InChIKey is ONJITZKHMJFJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-12(2,7-15)16-6-8-4-10(14)11(17-3)5-9(8)13/h4-5,16H,6-7,15H2,1-3H3.
What are the key properties of 2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine?
2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine has a molecular weight of 244.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115131971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).