4-phenoxy-2-(propylaminomethyl)aniline

C16H20N2O — CID 91807897

IUPAC4-phenoxy-2-(propylaminomethyl)aniline
SMILESCCCNCc1cc(Oc2ccccc2)ccc1N
InChIInChI=1S/C16H20N2O/c1-2-10-18-12-13-11-15(8-9-16(13)17)19-14-6-4-3-5-7-14/h3-9,11,18H,2,10,12,17H2,1H3
InChIKeyGTYHWIHCZGUJKD-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.56
Rot. Bonds6

About 4-phenoxy-2-(propylaminomethyl)aniline

4-phenoxy-2-(propylaminomethyl)aniline (PubChem CID 91807897) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-phenoxy-2-(propylaminomethyl)aniline.

Molecular Properties

Compound Name4-phenoxy-2-(propylaminomethyl)aniline
PubChem CID91807897
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-phenoxy-2-(propylaminomethyl)aniline
SMILESCCCNCc1cc(Oc2ccccc2)ccc1N
InChIInChI=1S/C16H20N2O/c1-2-10-18-12-13-11-15(8-9-16(13)17)19-14-6-4-3-5-7-14/h3-9,11,18H,2,10,12,17H2,1H3
InChIKeyGTYHWIHCZGUJKD-UHFFFAOYSA-N
XLogP3.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2-(propylaminomethyl)aniline?
The IUPAC name of 4-phenoxy-2-(propylaminomethyl)aniline (CID 91807897) is 4-phenoxy-2-(propylaminomethyl)aniline.
What is the SMILES notation for 4-phenoxy-2-(propylaminomethyl)aniline?
The canonical SMILES for 4-phenoxy-2-(propylaminomethyl)aniline is CCCNCc1cc(Oc2ccccc2)ccc1N.
What is the InChIKey of 4-phenoxy-2-(propylaminomethyl)aniline?
The InChIKey is GTYHWIHCZGUJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-10-18-12-13-11-15(8-9-16(13)17)19-14-6-4-3-5-7-14/h3-9,11,18H,2,10,12,17H2,1H3.
What are the key properties of 4-phenoxy-2-(propylaminomethyl)aniline?
4-phenoxy-2-(propylaminomethyl)aniline has a molecular weight of 256.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-(propylaminomethyl)aniline is sourced from PubChem (CID 91807897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).