N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine

C18H24N2O — CID 61076765

IUPACN'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1ccccc1OC)c1cccc(C)c1
InChIInChI=1S/C18H24N2O/c1-4-20(15-9-7-8-14(2)12-15)13-17(19)16-10-5-6-11-18(16)21-3/h5-12,17H,4,13,19H2,1-3H3
InChIKeyWMSWWBWJAGOIQY-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.53
Rot. Bonds6

About N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine

N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 61076765) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
PubChem CID61076765
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1ccccc1OC)c1cccc(C)c1
InChIInChI=1S/C18H24N2O/c1-4-20(15-9-7-8-14(2)12-15)13-17(19)16-10-5-6-11-18(16)21-3/h5-12,17H,4,13,19H2,1-3H3
InChIKeyWMSWWBWJAGOIQY-UHFFFAOYSA-N
XLogP3.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-1-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 43263333
1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine
CID 61077134
N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 18070854
2-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 108998497
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 63470194
N-(3-bromo-2-phenylpropyl)-N-ethyl-3-methylaniline
CID 65016452
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 43265729
N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54163306
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
CID 61076053
1-(N-ethyl-3-methylanilino)-3-[4-[3-(N-ethyl-3-methylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133401

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine (CID 61076765) is N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine is CCN(CC(N)c1ccccc1OC)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is WMSWWBWJAGOIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-20(15-9-7-8-14(2)12-15)13-17(19)16-10-5-6-11-18(16)21-3/h5-12,17H,4,13,19H2,1-3H3.
What are the key properties of N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61076765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).