N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine

C12H21N3O — CID 62922412

IUPACN'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(CN(CCN)CCN)cc1
InChIInChI=1S/C12H21N3O/c1-16-12-4-2-11(3-5-12)10-15(8-6-13)9-7-14/h2-5H,6-10,13-14H2,1H3
InChIKeyGAGJPVZTDGGTAH-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.41
Rot. Bonds7

About N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine

N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 62922412) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID62922412
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(CN(CCN)CCN)cc1
InChIInChI=1S/C12H21N3O/c1-16-12-4-2-11(3-5-12)10-15(8-6-13)9-7-14/h2-5H,6-10,13-14H2,1H3
InChIKeyGAGJPVZTDGGTAH-UHFFFAOYSA-N
XLogP0.41
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 65428987
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
N',N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine
CID 141146046
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594
N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine
CID 62924012
2-[(4-methoxyphenyl)methyl-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
CID 86656093
N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 39423483
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
CID 114231048
N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 56968146
N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine
CID 170552008

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine (CID 62922412) is N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine is COc1ccc(CN(CCN)CCN)cc1.
What is the InChIKey of N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is GAGJPVZTDGGTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-16-12-4-2-11(3-5-12)10-15(8-6-13)9-7-14/h2-5H,6-10,13-14H2,1H3.
What are the key properties of N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62922412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).