4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine

C19H25N3O2 — CID 70639004

IUPAC4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine
SMILESCC(CN1CCCC1)Oc1ccc(Oc2ccc(N)c(N)c2)cc1
InChIInChI=1S/C19H25N3O2/c1-14(13-22-10-2-3-11-22)23-15-4-6-16(7-5-15)24-17-8-9-18(20)19(21)12-17/h4-9,12,14H,2-3,10-11,13,20-21H2,1H3
InChIKeyVZZUHIMCOAGSDJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.51
Rot. Bonds6

About 4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine

4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine (PubChem CID 70639004) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine
PubChem CID70639004
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine
SMILESCC(CN1CCCC1)Oc1ccc(Oc2ccc(N)c(N)c2)cc1
InChIInChI=1S/C19H25N3O2/c1-14(13-22-10-2-3-11-22)23-15-4-6-16(7-5-15)24-17-8-9-18(20)19(21)12-17/h4-9,12,14H,2-3,10-11,13,20-21H2,1H3
InChIKeyVZZUHIMCOAGSDJ-UHFFFAOYSA-N
XLogP3.51
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-phenoxypropyl]pyrrolidine
CID 142952831
4-[4-(azepan-1-yl)butan-2-yloxy]-2-methylaniline
CID 82037200
4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine
CID 154418389
4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine
CID 21451838
[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
CID 848692
1-[(2R)-2-(4-chlorophenoxy)propyl]piperazine
CID 96925921
4-butan-2-yloxyaniline
CID 13097722
2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one
CID 110175833
1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 57207345
4-methoxy-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]aniline
CID 115414078
1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549
2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline
CID 166073807

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine?
The IUPAC name of 4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine (CID 70639004) is 4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine.
What is the SMILES notation for 4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine?
The canonical SMILES for 4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine is CC(CN1CCCC1)Oc1ccc(Oc2ccc(N)c(N)c2)cc1.
What is the InChIKey of 4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine?
The InChIKey is VZZUHIMCOAGSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(13-22-10-2-3-11-22)23-15-4-6-16(7-5-15)24-17-8-9-18(20)19(21)12-17/h4-9,12,14H,2-3,10-11,13,20-21H2,1H3.
What are the key properties of 4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine?
4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine has a molecular weight of 327.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-pyrrolidin-1-ylpropan-2-yloxy)phenoxy]benzene-1,2-diamine is sourced from PubChem (CID 70639004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).