4-(1-ethoxyethoxy)aniline

C10H15NO2 — CID 139920192

IUPAC4-(1-ethoxyethoxy)aniline
SMILESCCOC(C)Oc1ccc(N)cc1
InChIInChI=1S/C10H15NO2/c1-3-12-8(2)13-10-6-4-9(11)5-7-10/h4-8H,3,11H2,1-2H3
InChIKeyNZZNNDNNCUIZDF-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.03
Rot. Bonds4

About 4-(1-ethoxyethoxy)aniline

4-(1-ethoxyethoxy)aniline (PubChem CID 139920192) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-(1-ethoxyethoxy)aniline.

Molecular Properties

Compound Name4-(1-ethoxyethoxy)aniline
PubChem CID139920192
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-(1-ethoxyethoxy)aniline
SMILESCCOC(C)Oc1ccc(N)cc1
InChIInChI=1S/C10H15NO2/c1-3-12-8(2)13-10-6-4-9(11)5-7-10/h4-8H,3,11H2,1-2H3
InChIKeyNZZNNDNNCUIZDF-UHFFFAOYSA-N
XLogP2.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol
CID 11379114
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
4-butan-2-yloxyaniline
CID 13097722
bis[4-(1-ethoxyethoxy)phenyl]-phenylsulfanium
CID 18945784
3-(1-ethoxyethoxy)-4-methylaniline
CID 70635531
4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol
CID 23546598
1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene
CID 123503822
1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene
CID 90815558
ethane;1-ethoxyethoxybenzene;phenol;propane
CID 162122955

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethoxy)aniline?
The IUPAC name of 4-(1-ethoxyethoxy)aniline (CID 139920192) is 4-(1-ethoxyethoxy)aniline.
What is the SMILES notation for 4-(1-ethoxyethoxy)aniline?
The canonical SMILES for 4-(1-ethoxyethoxy)aniline is CCOC(C)Oc1ccc(N)cc1.
What is the InChIKey of 4-(1-ethoxyethoxy)aniline?
The InChIKey is NZZNNDNNCUIZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-12-8(2)13-10-6-4-9(11)5-7-10/h4-8H,3,11H2,1-2H3.
What are the key properties of 4-(1-ethoxyethoxy)aniline?
4-(1-ethoxyethoxy)aniline has a molecular weight of 181.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethoxy)aniline is sourced from PubChem (CID 139920192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).