4-phenoxy-3-propan-2-yloxyaniline

C15H17NO2 — CID 18616750

IUPAC4-phenoxy-3-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)ccc1Oc1ccccc1
InChIInChI=1S/C15H17NO2/c1-11(2)17-15-10-12(16)8-9-14(15)18-13-6-4-3-5-7-13/h3-11H,16H2,1-2H3
InChIKeyXHXUJNLRHYECAO-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.85
Rot. Bonds4

About 4-phenoxy-3-propan-2-yloxyaniline

4-phenoxy-3-propan-2-yloxyaniline (PubChem CID 18616750) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-phenoxy-3-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-phenoxy-3-propan-2-yloxyaniline
PubChem CID18616750
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-phenoxy-3-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)ccc1Oc1ccccc1
InChIInChI=1S/C15H17NO2/c1-11(2)17-15-10-12(16)8-9-14(15)18-13-6-4-3-5-7-13/h3-11H,16H2,1-2H3
InChIKeyXHXUJNLRHYECAO-UHFFFAOYSA-N
XLogP3.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxy-3-propan-2-yloxybenzamide
CID 174415325
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
4-(4-amino-2-phenoxyphenyl)sulfanyl-3-phenoxyaniline
CID 134362895
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
4-(3-aminophenyl)-3-phenoxyaniline
CID 68785686
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
4-(4-aminophenyl)-3-propan-2-yloxyaniline
CID 141083704
methyl 5-amino-2-phenoxybenzoate
CID 23019285
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
1-(5-amino-2-phenoxyphenyl)propan-1-one
CID 174383194
6-phenoxybenzene-1,2,4-triamine
CID 139667356
4-amino-2-propan-2-yloxybenzonitrile
CID 131557509

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-3-propan-2-yloxyaniline?
The IUPAC name of 4-phenoxy-3-propan-2-yloxyaniline (CID 18616750) is 4-phenoxy-3-propan-2-yloxyaniline.
What is the SMILES notation for 4-phenoxy-3-propan-2-yloxyaniline?
The canonical SMILES for 4-phenoxy-3-propan-2-yloxyaniline is CC(C)Oc1cc(N)ccc1Oc1ccccc1.
What is the InChIKey of 4-phenoxy-3-propan-2-yloxyaniline?
The InChIKey is XHXUJNLRHYECAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(2)17-15-10-12(16)8-9-14(15)18-13-6-4-3-5-7-13/h3-11H,16H2,1-2H3.
What are the key properties of 4-phenoxy-3-propan-2-yloxyaniline?
4-phenoxy-3-propan-2-yloxyaniline has a molecular weight of 243.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-3-propan-2-yloxyaniline is sourced from PubChem (CID 18616750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).