N-(3-ethoxypropyl)aniline

C11H17NO — CID 62565390

IUPACN-(3-ethoxypropyl)aniline
SMILESCCOCCCNc1ccccc1
InChIInChI=1S/C11H17NO/c1-2-13-10-6-9-12-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKeyUBDPXQALUOQAMP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.53
Rot. Bonds6

About N-(3-ethoxypropyl)aniline

N-(3-ethoxypropyl)aniline (PubChem CID 62565390) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(3-ethoxypropyl)aniline.

Molecular Properties

Compound NameN-(3-ethoxypropyl)aniline
PubChem CID62565390
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(3-ethoxypropyl)aniline
SMILESCCOCCCNc1ccccc1
InChIInChI=1S/C11H17NO/c1-2-13-10-6-9-12-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKeyUBDPXQALUOQAMP-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)aniline?
The IUPAC name of N-(3-ethoxypropyl)aniline (CID 62565390) is N-(3-ethoxypropyl)aniline.
What is the SMILES notation for N-(3-ethoxypropyl)aniline?
The canonical SMILES for N-(3-ethoxypropyl)aniline is CCOCCCNc1ccccc1.
What is the InChIKey of N-(3-ethoxypropyl)aniline?
The InChIKey is UBDPXQALUOQAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-13-10-6-9-12-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3.
What are the key properties of N-(3-ethoxypropyl)aniline?
N-(3-ethoxypropyl)aniline has a molecular weight of 179.26 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)aniline is sourced from PubChem (CID 62565390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).