4-(3-ethoxypropoxymethyl)aniline

C12H19NO2 — CID 65176442

IUPAC4-(3-ethoxypropoxymethyl)aniline
SMILESCCOCCCOCc1ccc(N)cc1
InChIInChI=1S/C12H19NO2/c1-2-14-8-3-9-15-10-11-4-6-12(13)7-5-11/h4-7H,2-3,8-10,13H2,1H3
InChIKeyRYNBFMKBPZXTDO-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.21
Rot. Bonds7

About 4-(3-ethoxypropoxymethyl)aniline

4-(3-ethoxypropoxymethyl)aniline (PubChem CID 65176442) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(3-ethoxypropoxymethyl)aniline.

Molecular Properties

Compound Name4-(3-ethoxypropoxymethyl)aniline
PubChem CID65176442
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(3-ethoxypropoxymethyl)aniline
SMILESCCOCCCOCc1ccc(N)cc1
InChIInChI=1S/C12H19NO2/c1-2-14-8-3-9-15-10-11-4-6-12(13)7-5-11/h4-7H,2-3,8-10,13H2,1H3
InChIKeyRYNBFMKBPZXTDO-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.21
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-(3-ethoxypropoxy)aniline
CID 43365878
4-(4-phenylbutoxymethyl)aniline
CID 114332885
CID 169190312
CID 169190312
4-[2-(3-ethoxypropylamino)propyl]aniline
CID 82257195
1-ethyl-4-(3-methoxypropoxymethyl)benzene
CID 160710352
4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine
CID 65175697
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
4-(phenylmethoxymethyl)aniline
CID 11701294
4-(2-ethoxyethoxy)aniline
CID 16641299
4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline
CID 43174442
2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine
CID 103406557
4-(2-methylbutoxymethyl)aniline
CID 62103627

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropoxymethyl)aniline?
The IUPAC name of 4-(3-ethoxypropoxymethyl)aniline (CID 65176442) is 4-(3-ethoxypropoxymethyl)aniline.
What is the SMILES notation for 4-(3-ethoxypropoxymethyl)aniline?
The canonical SMILES for 4-(3-ethoxypropoxymethyl)aniline is CCOCCCOCc1ccc(N)cc1.
What is the InChIKey of 4-(3-ethoxypropoxymethyl)aniline?
The InChIKey is RYNBFMKBPZXTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-14-8-3-9-15-10-11-4-6-12(13)7-5-11/h4-7H,2-3,8-10,13H2,1H3.
What are the key properties of 4-(3-ethoxypropoxymethyl)aniline?
4-(3-ethoxypropoxymethyl)aniline has a molecular weight of 209.29 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropoxymethyl)aniline is sourced from PubChem (CID 65176442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).