1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine

C11H18N2O2 — CID 116932428

IUPAC1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCNCC(N)c1cc(OC)ccc1OC
InChIInChI=1S/C11H18N2O2/c1-13-7-10(12)9-6-8(14-2)4-5-11(9)15-3/h4-6,10,13H,7,12H2,1-3H3
InChIKeyDZYWDJPTGKEVPO-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.92
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine

1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine (PubChem CID 116932428) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
PubChem CID116932428
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCNCC(N)c1cc(OC)ccc1OC
InChIInChI=1S/C11H18N2O2/c1-13-7-10(12)9-6-8(14-2)4-5-11(9)15-3/h4-6,10,13H,7,12H2,1-3H3
InChIKeyDZYWDJPTGKEVPO-UHFFFAOYSA-N
XLogP0.92
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine
CID 116934724
1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905986
(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171200247
2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 61327016
1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16790008

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine (CID 116932428) is 1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine is CNCC(N)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is DZYWDJPTGKEVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13-7-10(12)9-6-8(14-2)4-5-11(9)15-3/h4-6,10,13H,7,12H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine?
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 116932428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).