4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine

C18H25N3O2 — CID 21451827

IUPAC4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine
SMILESCCN(CC)CCOc1cccc(Oc2ccc(N)c(N)c2)c1
InChIInChI=1S/C18H25N3O2/c1-3-21(4-2)10-11-22-14-6-5-7-15(12-14)23-16-8-9-17(19)18(20)13-16/h5-9,12-13H,3-4,10-11,19-20H2,1-2H3
InChIKeyABGKAXYEHSPVSK-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.36
Rot. Bonds8

About 4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine

4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine (PubChem CID 21451827) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine
PubChem CID21451827
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine
SMILESCCN(CC)CCOc1cccc(Oc2ccc(N)c(N)c2)c1
InChIInChI=1S/C18H25N3O2/c1-3-21(4-2)10-11-22-14-6-5-7-15(12-14)23-16-8-9-17(19)18(20)13-16/h5-9,12-13H,3-4,10-11,19-20H2,1-2H3
InChIKeyABGKAXYEHSPVSK-UHFFFAOYSA-N
XLogP3.36
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.36
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

CID 6456511
CID 6456511
3-[2-(Diethylamino)ethoxy]aniline
CID 23008789
3-(4-Amino-phenoxy)-5-phenoxy-phenylamine
CID 686776
o-Phenylenediamine, 4,4'-pentamethylenedioxybis-
CID 3066176
4-(2-(Dimethylamino)ethoxy)benzene-1,2-diamine
CID 22167701
4-(2-Dimethylamino-ethoxy)-5-fluoro-benzene-1,2-diamine
CID 66622250
4-Fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine
CID 68841997
2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine
CID 89050980
3-(2-Morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline
CID 90002235
3-(Difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline
CID 164584285
3-[3-(Diethylamino)phenoxy]-5-(2,2,2-trifluoroethoxy)aniline
CID 43829222
2-[3-(Dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline
CID 63592720

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine?
The IUPAC name of 4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine (CID 21451827) is 4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine.
What is the SMILES notation for 4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine?
The canonical SMILES for 4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine is CCN(CC)CCOc1cccc(Oc2ccc(N)c(N)c2)c1.
What is the InChIKey of 4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine?
The InChIKey is ABGKAXYEHSPVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-21(4-2)10-11-22-14-6-5-7-15(12-14)23-16-8-9-17(19)18(20)13-16/h5-9,12-13H,3-4,10-11,19-20H2,1-2H3.
What are the key properties of 4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine?
4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine has a molecular weight of 315.42 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine is sourced from PubChem (CID 21451827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).