N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine

C11H17FN2O — CID 115227132

IUPACN'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1cc(F)ccc1OC
InChIInChI=1S/C11H17FN2O/c1-13-8-14-6-5-9-7-10(12)3-4-11(9)15-2/h3-4,7,13-14H,5-6,8H2,1-2H3
InChIKeySBWNHOHMQLIRNI-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.14
Rot. Bonds6

About N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine

N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine (PubChem CID 115227132) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
PubChem CID115227132
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC NameN'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1cc(F)ccc1OC
InChIInChI=1S/C11H17FN2O/c1-13-8-14-6-5-9-7-10(12)3-4-11(9)15-2/h3-4,7,13-14H,5-6,8H2,1-2H3
InChIKeySBWNHOHMQLIRNI-UHFFFAOYSA-N
XLogP1.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227129
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 115196753
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136113
2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132903
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 115203997
5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one
CID 115236659
2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine
CID 25258809
N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227195
N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115261072
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine?
The IUPAC name of N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine (CID 115227132) is N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine?
The canonical SMILES for N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine is CNCNCCc1cc(F)ccc1OC.
What is the InChIKey of N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine?
The InChIKey is SBWNHOHMQLIRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-13-8-14-6-5-9-7-10(12)3-4-11(9)15-2/h3-4,7,13-14H,5-6,8H2,1-2H3.
What are the key properties of N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine?
N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine has a molecular weight of 212.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine is sourced from PubChem (CID 115227132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).