4-(1-heptoxyethyl)aniline

C15H25NO — CID 61263162

IUPAC4-(1-heptoxyethyl)aniline
SMILESCCCCCCCOC(C)c1ccc(N)cc1
InChIInChI=1S/C15H25NO/c1-3-4-5-6-7-12-17-13(2)14-8-10-15(16)11-9-14/h8-11,13H,3-7,12,16H2,1-2H3
InChIKeyALQIJCMDIJRUIB-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.32
Rot. Bonds8

About 4-(1-heptoxyethyl)aniline

4-(1-heptoxyethyl)aniline (PubChem CID 61263162) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(1-heptoxyethyl)aniline.

Molecular Properties

Compound Name4-(1-heptoxyethyl)aniline
PubChem CID61263162
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(1-heptoxyethyl)aniline
SMILESCCCCCCCOC(C)c1ccc(N)cc1
InChIInChI=1S/C15H25NO/c1-3-4-5-6-7-12-17-13(2)14-8-10-15(16)11-9-14/h8-11,13H,3-7,12,16H2,1-2H3
InChIKeyALQIJCMDIJRUIB-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-hexoxyethyl)-4-phenylbenzene
CID 57158562
1-(1-hexadecoxyethyl)-4-phenylbenzene
CID 57138452
1-(1-octoxyethyl)-4-phenylbenzene
CID 57076117
1-(1-heptoxyethyl)-4-phenylbenzene
CID 57043639
4-[1-(2-propoxyethoxy)ethyl]aniline
CID 63687066
1-(1-decoxyethyl)-4-(4-tetradecoxyphenyl)benzene
CID 139694062
1-nonoxy-4-[4-(1-nonoxyethyl)phenyl]benzene
CID 139693545
1-decoxy-4-[4-(1-hexoxyethyl)phenyl]benzene
CID 139693575
1-(1-dodecoxyethyl)-4-(4-undecoxyphenyl)benzene
CID 139693522
1-dodecoxy-4-[4-(1-dodecoxyethyl)phenyl]benzene
CID 139694022
1-(1-pentoxyethyl)-4-(4-tetradecoxyphenyl)benzene
CID 139693934
1-butoxy-4-[4-(1-tetradecoxyethyl)phenyl]benzene
CID 139693996

Frequently Asked Questions

What is the IUPAC name of 4-(1-heptoxyethyl)aniline?
The IUPAC name of 4-(1-heptoxyethyl)aniline (CID 61263162) is 4-(1-heptoxyethyl)aniline.
What is the SMILES notation for 4-(1-heptoxyethyl)aniline?
The canonical SMILES for 4-(1-heptoxyethyl)aniline is CCCCCCCOC(C)c1ccc(N)cc1.
What is the InChIKey of 4-(1-heptoxyethyl)aniline?
The InChIKey is ALQIJCMDIJRUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-5-6-7-12-17-13(2)14-8-10-15(16)11-9-14/h8-11,13H,3-7,12,16H2,1-2H3.
What are the key properties of 4-(1-heptoxyethyl)aniline?
4-(1-heptoxyethyl)aniline has a molecular weight of 235.37 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-heptoxyethyl)aniline is sourced from PubChem (CID 61263162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).