1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine

C10H16N2O — CID 62911609

IUPAC1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
SMILESCOCCNc1ccc(C)c(N)c1
InChIInChI=1S/C10H16N2O/c1-8-3-4-9(7-10(8)11)12-5-6-13-2/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyBFKGIKOQWHKIPF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.64
Rot. Bonds4

About 1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine

1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine (PubChem CID 62911609) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
PubChem CID62911609
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
SMILESCOCCNc1ccc(C)c(N)c1
InChIInChI=1S/C10H16N2O/c1-8-3-4-9(7-10(8)11)12-5-6-13-2/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyBFKGIKOQWHKIPF-UHFFFAOYSA-N
XLogP1.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline
CID 57048374
methyl 3-(3-amino-4-methylanilino)propanoate
CID 62911969
4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 68602874
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
1-N-methoxy-4-methylbenzene-1,3-diamine
CID 87287100
1-N-[3-(dimethylamino)propyl]-4-methylbenzene-1,3-diamine
CID 62910379
3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline
CID 43380738
4-methyl-1-N-(trioxidanylsulfanylmethyl)benzene-1,3-diamine
CID 21056335
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline
CID 142154386

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine (CID 62911609) is 1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine is COCCNc1ccc(C)c(N)c1.
What is the InChIKey of 1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine?
The InChIKey is BFKGIKOQWHKIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-3-4-9(7-10(8)11)12-5-6-13-2/h3-4,7,12H,5-6,11H2,1-2H3.
What are the key properties of 1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine?
1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 62911609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).