4-(2-heptoxyethoxy)aniline

C15H25NO2 — CID 43366149

IUPAC4-(2-heptoxyethoxy)aniline
SMILESCCCCCCCOCCOc1ccc(N)cc1
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-11-17-12-13-18-15-9-7-14(16)8-10-15/h7-10H,2-6,11-13,16H2,1H3
InChIKeyKGORBMXAQQPDRU-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.63
Rot. Bonds10

About 4-(2-heptoxyethoxy)aniline

4-(2-heptoxyethoxy)aniline (PubChem CID 43366149) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(2-heptoxyethoxy)aniline.

Molecular Properties

Compound Name4-(2-heptoxyethoxy)aniline
PubChem CID43366149
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-(2-heptoxyethoxy)aniline
SMILESCCCCCCCOCCOc1ccc(N)cc1
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-11-17-12-13-18-15-9-7-14(16)8-10-15/h7-10H,2-6,11-13,16H2,1H3
InChIKeyKGORBMXAQQPDRU-UHFFFAOYSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-pentoxyethoxy)aniline
CID 43274923
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
4-[5-(2-methoxyethoxy)pentoxy]aniline
CID 3026839
azane;ethane;ethene;4-octadecoxyaniline
CID 142260214
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
4-[2-(4-hexoxyphenyl)ethynyl]aniline
CID 22644339
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of 4-(2-heptoxyethoxy)aniline?
The IUPAC name of 4-(2-heptoxyethoxy)aniline (CID 43366149) is 4-(2-heptoxyethoxy)aniline.
What is the SMILES notation for 4-(2-heptoxyethoxy)aniline?
The canonical SMILES for 4-(2-heptoxyethoxy)aniline is CCCCCCCOCCOc1ccc(N)cc1.
What is the InChIKey of 4-(2-heptoxyethoxy)aniline?
The InChIKey is KGORBMXAQQPDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-5-6-11-17-12-13-18-15-9-7-14(16)8-10-15/h7-10H,2-6,11-13,16H2,1H3.
What are the key properties of 4-(2-heptoxyethoxy)aniline?
4-(2-heptoxyethoxy)aniline has a molecular weight of 251.37 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-heptoxyethoxy)aniline is sourced from PubChem (CID 43366149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).