1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine

C15H19N3O — CID 54794975

IUPAC1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine
SMILESCC(C)Oc1cccc(Nc2ccc(N)cc2N)c1
InChIInChI=1S/C15H19N3O/c1-10(2)19-13-5-3-4-12(9-13)18-15-7-6-11(16)8-14(15)17/h3-10,18H,16-17H2,1-2H3
InChIKeyXFUGJGIPSBTZDA-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.38
Rot. Bonds4

About 1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine

1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine (PubChem CID 54794975) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine
PubChem CID54794975
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine
SMILESCC(C)Oc1cccc(Nc2ccc(N)cc2N)c1
InChIInChI=1S/C15H19N3O/c1-10(2)19-13-5-3-4-12(9-13)18-15-7-6-11(16)8-14(15)17/h3-10,18H,16-17H2,1-2H3
InChIKeyXFUGJGIPSBTZDA-UHFFFAOYSA-N
XLogP3.38
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-heptoxyphenyl)benzene-1,2,4-triamine
CID 54794959
3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 117027093
4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067640
4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline
CID 67925820
4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067641
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 22060410
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529
3-N-(3-butan-2-yloxyphenyl)-2-methylbenzene-1,3-diamine
CID 63062068
4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002161
1-N-(3-butan-2-yloxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590295
1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine
CID 66066299
propan-2-yl 5-amino-2-(3-chloroanilino)benzoate
CID 100645280

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine?
The IUPAC name of 1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine (CID 54794975) is 1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine.
What is the SMILES notation for 1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine?
The canonical SMILES for 1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine is CC(C)Oc1cccc(Nc2ccc(N)cc2N)c1.
What is the InChIKey of 1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine?
The InChIKey is XFUGJGIPSBTZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)19-13-5-3-4-12(9-13)18-15-7-6-11(16)8-14(15)17/h3-10,18H,16-17H2,1-2H3.
What are the key properties of 1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine?
1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine has a molecular weight of 257.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine is sourced from PubChem (CID 54794975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).