2,4,6-tributoxyaniline

C18H31NO3 — CID 130240432

IUPAC2,4,6-tributoxyaniline
SMILESCCCCOc1cc(OCCCC)c(N)c(OCCCC)c1
InChIInChI=1S/C18H31NO3/c1-4-7-10-20-15-13-16(21-11-8-5-2)18(19)17(14-15)22-12-9-6-3/h13-14H,4-12,19H2,1-3H3
InChIKeyHAVLLVRUKJOOSN-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.81
Rot. Bonds12

About 2,4,6-tributoxyaniline

2,4,6-tributoxyaniline (PubChem CID 130240432) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2,4,6-tributoxyaniline.

Molecular Properties

Compound Name2,4,6-tributoxyaniline
PubChem CID130240432
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name2,4,6-tributoxyaniline
SMILESCCCCOc1cc(OCCCC)c(N)c(OCCCC)c1
InChIInChI=1S/C18H31NO3/c1-4-7-10-20-15-13-16(21-11-8-5-2)18(19)17(14-15)22-12-9-6-3/h13-14H,4-12,19H2,1-3H3
InChIKeyHAVLLVRUKJOOSN-UHFFFAOYSA-N
XLogP4.81
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
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

1,3,5-tributoxybenzene
CID 15933337
tris(2,4,6-tributoxyphenyl)sulfanium
CID 157331235
4-octoxy-2-propoxyaniline
CID 63676334
1-butoxy-3,5-dimethylbenzene;methanamine
CID 142103581
3-butoxy-5-methylaniline
CID 112648427
2-ethoxy-4-pentoxyaniline
CID 63678215
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
4-[3-(4-amino-2,6-dichlorophenoxy)-2,5-dibutoxyphenoxy]-3,5-dichloroaniline
CID 139626994
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
1,5-dihexoxy-2,3-dimethylbenzene
CID 23531654
methyl 2-bromo-4,6-dibutoxybenzoate
CID 70859460
2-butoxy-4-(2-methylpropoxy)aniline
CID 155920753

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tributoxyaniline?
The IUPAC name of 2,4,6-tributoxyaniline (CID 130240432) is 2,4,6-tributoxyaniline.
What is the SMILES notation for 2,4,6-tributoxyaniline?
The canonical SMILES for 2,4,6-tributoxyaniline is CCCCOc1cc(OCCCC)c(N)c(OCCCC)c1.
What is the InChIKey of 2,4,6-tributoxyaniline?
The InChIKey is HAVLLVRUKJOOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-4-7-10-20-15-13-16(21-11-8-5-2)18(19)17(14-15)22-12-9-6-3/h13-14H,4-12,19H2,1-3H3.
What are the key properties of 2,4,6-tributoxyaniline?
2,4,6-tributoxyaniline has a molecular weight of 309.45 g/mol, XLogP of 4.81, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tributoxyaniline is sourced from PubChem (CID 130240432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).