2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine

C15H19N3O2 — CID 174469442

IUPAC2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine
SMILESCOCCOc1ccc(N)c(-c2ccccc2N)c1N
InChIInChI=1S/C15H19N3O2/c1-19-8-9-20-13-7-6-12(17)14(15(13)18)10-4-2-3-5-11(10)16/h2-7H,8-9,16-18H2,1H3
InChIKeyVDROZQJWFRCJKQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.13
Rot. Bonds5

About 2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine

2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine (PubChem CID 174469442) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine.

Molecular Properties

Compound Name2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine
PubChem CID174469442
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine
SMILESCOCCOc1ccc(N)c(-c2ccccc2N)c1N
InChIInChI=1S/C15H19N3O2/c1-19-8-9-20-13-7-6-12(17)14(15(13)18)10-4-2-3-5-11(10)16/h2-7H,8-9,16-18H2,1H3
InChIKeyVDROZQJWFRCJKQ-UHFFFAOYSA-N
XLogP2.13
TPSA96.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
CID 107626878
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
3-[2-(2-methoxyethoxy)phenyl]aniline
CID 104660805
[2-[2-(2-methoxyethoxy)phenyl]phenyl]methanamine
CID 104660838
2-(2-aminophenyl)benzene-1,3-diamine
CID 22068804
2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline
CID 107615999
4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine
CID 43518708
1,5-bis(2-aminophenyl)naphthalene-2,6-diamine
CID 58471762
2-[4-(2-methoxyethyl)phenyl]aniline
CID 61025124
5-ethyl-2-(2-methoxyethoxy)aniline
CID 54853265
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine?
The IUPAC name of 2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine (CID 174469442) is 2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine.
What is the SMILES notation for 2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine?
The canonical SMILES for 2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine is COCCOc1ccc(N)c(-c2ccccc2N)c1N.
What is the InChIKey of 2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine?
The InChIKey is VDROZQJWFRCJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-8-9-20-13-7-6-12(17)14(15(13)18)10-4-2-3-5-11(10)16/h2-7H,8-9,16-18H2,1H3.
What are the key properties of 2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine?
2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine is sourced from PubChem (CID 174469442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).