4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine

C18H25N3O2 — CID 21451599

IUPAC4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine
SMILESCC(Oc1ccccc1Oc1ccc(N)c(N)c1)C(C)N(C)C
InChIInChI=1S/C18H25N3O2/c1-12(21(3)4)13(2)22-17-7-5-6-8-18(17)23-14-9-10-15(19)16(20)11-14/h5-13H,19-20H2,1-4H3
InChIKeyOGOVXMQXNRCWIJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.36
Rot. Bonds6

About 4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine

4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine (PubChem CID 21451599) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine
PubChem CID21451599
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine
SMILESCC(Oc1ccccc1Oc1ccc(N)c(N)c1)C(C)N(C)C
InChIInChI=1S/C18H25N3O2/c1-12(21(3)4)13(2)22-17-7-5-6-8-18(17)23-14-9-10-15(19)16(20)11-14/h5-13H,19-20H2,1-4H3
InChIKeyOGOVXMQXNRCWIJ-UHFFFAOYSA-N
XLogP3.36
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline
CID 161452691
4-[3-[1-[di(propan-2-yl)amino]propan-2-yloxy]phenoxy]benzene-1,2-diamine
CID 21451838
4-(2,3-difluorophenoxy)benzene-1,2-diamine
CID 106748465
4-naphthalen-2-yloxybenzene-1,2-diamine
CID 106748292
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
2-methoxy-4-(2-propan-2-ylphenoxy)aniline
CID 55231972
(3,4-diaminophenyl)-[2-[3-(dibutylamino)butan-2-yloxy]phenyl]methanone
CID 21451658
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
4-(2,4-dibromophenoxy)benzene-1,2-diamine
CID 106748492
4-(2,4,5-trichlorophenoxy)benzene-1,2-diamine
CID 106748304
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine?
The IUPAC name of 4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine (CID 21451599) is 4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine.
What is the SMILES notation for 4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine?
The canonical SMILES for 4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine is CC(Oc1ccccc1Oc1ccc(N)c(N)c1)C(C)N(C)C.
What is the InChIKey of 4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine?
The InChIKey is OGOVXMQXNRCWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(21(3)4)13(2)22-17-7-5-6-8-18(17)23-14-9-10-15(19)16(20)11-14/h5-13H,19-20H2,1-4H3.
What are the key properties of 4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine?
4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine has a molecular weight of 315.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(dimethylamino)butan-2-yloxy]phenoxy]benzene-1,2-diamine is sourced from PubChem (CID 21451599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).