4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine

C21H31N3O2 — CID 21451838

IUPAC4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine
SMILESCC(CN(C(C)C)C(C)C)Oc1cccc(Oc2ccc(N)c(N)c2)c1
InChIInChI=1S/C21H31N3O2/c1-14(2)24(15(3)4)13-16(5)25-17-7-6-8-18(11-17)26-19-9-10-20(22)21(23)12-19/h6-12,14-16H,13,22-23H2,1-5H3
InChIKeyRKYXONBESDAIPY-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.53
Rot. Bonds8

About 4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine

4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine (PubChem CID 21451838) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine
PubChem CID21451838
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine
SMILESCC(CN(C(C)C)C(C)C)Oc1cccc(Oc2ccc(N)c(N)c2)c1
InChIInChI=1S/C21H31N3O2/c1-14(2)24(15(3)4)13-16(5)25-17-7-6-8-18(11-17)26-19-9-10-20(22)21(23)12-19/h6-12,14-16H,13,22-23H2,1-5H3
InChIKeyRKYXONBESDAIPY-UHFFFAOYSA-N
XLogP4.53
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-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

4-[3-[1-(1H-pyrrol-3-yl)propoxy]phenoxy]benzene-1,2-diamine
CID 21451667
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine
CID 21451827
4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine
CID 70639004
4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine
CID 21451599
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
2-(3-aminophenoxy)propan-1-ol
CID 130503390
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
4-naphthalen-2-yloxybenzene-1,2-diamine
CID 106748292
(3,4-diaminophenyl)-[4-[1-(dibutylamino)propan-2-yloxy]phenyl]methanone
CID 21451501
4-(3-methylphenoxy)-2-propan-2-yloxyaniline
CID 83001982
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine?
The IUPAC name of 4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine (CID 21451838) is 4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine.
What is the SMILES notation for 4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine?
The canonical SMILES for 4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine is CC(CN(C(C)C)C(C)C)Oc1cccc(Oc2ccc(N)c(N)c2)c1.
What is the InChIKey of 4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine?
The InChIKey is RKYXONBESDAIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14(2)24(15(3)4)13-16(5)25-17-7-6-8-18(11-17)26-19-9-10-20(22)21(23)12-19/h6-12,14-16H,13,22-23H2,1-5H3.
What are the key properties of 4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine?
4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine has a molecular weight of 357.50 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine is sourced from PubChem (CID 21451838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).