4-N-(2-phenoxyethyl)benzene-1,2,4-triamine

C14H17N3O — CID 106750634

IUPAC4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
SMILESNc1ccc(NCCOc2ccccc2)cc1N
InChIInChI=1S/C14H17N3O/c15-13-7-6-11(10-14(13)16)17-8-9-18-12-4-2-1-3-5-12/h1-7,10,17H,8-9,15-16H2
InChIKeyYFRJTCJJDMVLDI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.34
Rot. Bonds5

About 4-N-(2-phenoxyethyl)benzene-1,2,4-triamine

4-N-(2-phenoxyethyl)benzene-1,2,4-triamine (PubChem CID 106750634) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-(2-phenoxyethyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
PubChem CID106750634
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
SMILESNc1ccc(NCCOc2ccccc2)cc1N
InChIInChI=1S/C14H17N3O/c15-13-7-6-11(10-14(13)16)17-8-9-18-12-4-2-1-3-5-12/h1-7,10,17H,8-9,15-16H2
InChIKeyYFRJTCJJDMVLDI-UHFFFAOYSA-N
XLogP2.34
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-phenoxyethylamino)benzenesulfonamide
CID 79466327
2-amino-4-(3-phenoxypropylamino)benzoic acid
CID 104500559
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287
3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 39365277
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 2295787
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline
CID 114839538
4-bromo-5-fluoro-1-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 66110147
2-methyl-4-(2-phenoxyethylamino)benzaldehyde
CID 154188112
N-(2-phenoxyethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 60680266

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-phenoxyethyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(2-phenoxyethyl)benzene-1,2,4-triamine (CID 106750634) is 4-N-(2-phenoxyethyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(2-phenoxyethyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(2-phenoxyethyl)benzene-1,2,4-triamine is Nc1ccc(NCCOc2ccccc2)cc1N.
What is the InChIKey of 4-N-(2-phenoxyethyl)benzene-1,2,4-triamine?
The InChIKey is YFRJTCJJDMVLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-13-7-6-11(10-14(13)16)17-8-9-18-12-4-2-1-3-5-12/h1-7,10,17H,8-9,15-16H2.
What are the key properties of 4-N-(2-phenoxyethyl)benzene-1,2,4-triamine?
4-N-(2-phenoxyethyl)benzene-1,2,4-triamine has a molecular weight of 243.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-phenoxyethyl)benzene-1,2,4-triamine is sourced from PubChem (CID 106750634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).