2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine

C20H22N4O2 — CID 10132592

IUPAC2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine
SMILESNc1ccc(N)c(OCc2ccccc2COc2cc(N)ccc2N)c1
InChIInChI=1S/C20H22N4O2/c21-15-5-7-17(23)19(9-15)25-11-13-3-1-2-4-14(13)12-26-20-10-16(22)6-8-18(20)24/h1-10H,11-12,21-24H2
InChIKeyBBRQEYVHCNUXET-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.17
Rot. Bonds6

About 2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine

2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine (PubChem CID 10132592) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine.

Molecular Properties

Compound Name2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine
PubChem CID10132592
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine
SMILESNc1ccc(N)c(OCc2ccccc2COc2cc(N)ccc2N)c1
InChIInChI=1S/C20H22N4O2/c21-15-5-7-17(23)19(9-15)25-11-13-3-1-2-4-14(13)12-26-20-10-16(22)6-8-18(20)24/h1-10H,11-12,21-24H2
InChIKeyBBRQEYVHCNUXET-UHFFFAOYSA-N
XLogP3.17
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878
4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
2-[(2,4-diaminophenoxy)methyl]benzene-1,4-diamine
CID 57055937
2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460486
2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
CID 115460494
2-[(2-bromophenyl)methoxy]-4-methylaniline
CID 24691550
3-[(2-bromophenyl)methoxy]-4-methylaniline
CID 43520223
3-bromo-4-[(2-bromophenyl)methoxy]aniline
CID 82827730
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
2-[3-(2,5-diaminophenoxy)-2-methylpropoxy]benzene-1,4-diamine
CID 70541504
4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile
CID 113444327
3-[(2-chlorophenyl)methoxy]-4-propylaniline
CID 154112954

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine?
The IUPAC name of 2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine (CID 10132592) is 2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine.
What is the SMILES notation for 2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine?
The canonical SMILES for 2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine is Nc1ccc(N)c(OCc2ccccc2COc2cc(N)ccc2N)c1.
What is the InChIKey of 2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine?
The InChIKey is BBRQEYVHCNUXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-15-5-7-17(23)19(9-15)25-11-13-3-1-2-4-14(13)12-26-20-10-16(22)6-8-18(20)24/h1-10H,11-12,21-24H2.
What are the key properties of 2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine?
2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine has a molecular weight of 350.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine is sourced from PubChem (CID 10132592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).