N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine

C12H20N2O2 — CID 115227129

IUPACN'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1cc(OC)ccc1OC
InChIInChI=1S/C12H20N2O2/c1-13-9-14-7-6-10-8-11(15-2)4-5-12(10)16-3/h4-5,8,13-14H,6-7,9H2,1-3H3
InChIKeyZHJJFMHFHHWXJG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.01
Rot. Bonds7

About N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine

N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine (PubChem CID 115227129) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
PubChem CID115227129
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1cc(OC)ccc1OC
InChIInChI=1S/C12H20N2O2/c1-13-9-14-7-6-10-8-11(15-2)4-5-12(10)16-3/h4-5,8,13-14H,6-7,9H2,1-3H3
InChIKeyZHJJFMHFHHWXJG-UHFFFAOYSA-N
XLogP1.01
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227132
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 39245762
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
CID 115217746
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-2-one
CID 115235884
ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate
CID 115257468
5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
CID 115236656
N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227195
N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115261072
3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134910
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 65304513

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine?
The IUPAC name of N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine (CID 115227129) is N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine?
The canonical SMILES for N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine is CNCNCCc1cc(OC)ccc1OC.
What is the InChIKey of N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine?
The InChIKey is ZHJJFMHFHHWXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13-9-14-7-6-10-8-11(15-2)4-5-12(10)16-3/h4-5,8,13-14H,6-7,9H2,1-3H3.
What are the key properties of N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine?
N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine has a molecular weight of 224.30 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine is sourced from PubChem (CID 115227129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).