N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine

C19H26N2O3 — CID 11587966

IUPACN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NCCNC(C)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H26N2O3/c1-14(15-8-9-18(23-3)19(12-15)24-4)20-10-11-21-16-6-5-7-17(13-16)22-2/h5-9,12-14,20-21H,10-11H2,1-4H3
InChIKeyTZKXJKMIMBWEBI-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.48
Rot. Bonds9

About N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine (PubChem CID 11587966) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine
PubChem CID11587966
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NCCNC(C)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H26N2O3/c1-14(15-8-9-18(23-3)19(12-15)24-4)20-10-11-21-16-6-5-7-17(13-16)22-2/h5-9,12-14,20-21H,10-11H2,1-4H3
InChIKeyTZKXJKMIMBWEBI-UHFFFAOYSA-N
XLogP3.48
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(3,4-dimethoxyphenyl)ethyl]propane-1,3-diamine
CID 60890070
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 15808336
N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634707
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 102977990
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
CID 43194273
N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806936
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9001033

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine (CID 11587966) is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine is COc1cccc(NCCNC(C)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is TZKXJKMIMBWEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(15-8-9-18(23-3)19(12-15)24-4)20-10-11-21-16-6-5-7-17(13-16)22-2/h5-9,12-14,20-21H,10-11H2,1-4H3.
What are the key properties of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine?
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 330.43 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 11587966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).