3-(hexoxymethyl)-4-methoxyaniline

C14H23NO2 — CID 43134692

IUPAC3-(hexoxymethyl)-4-methoxyaniline
SMILESCCCCCCOCc1cc(N)ccc1OC
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-9-17-11-12-10-13(15)7-8-14(12)16-2/h7-8,10H,3-6,9,11,15H2,1-2H3
InChIKeyZXUZHZOSDKUUCU-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.37
Rot. Bonds8

About 3-(hexoxymethyl)-4-methoxyaniline

3-(hexoxymethyl)-4-methoxyaniline (PubChem CID 43134692) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(hexoxymethyl)-4-methoxyaniline.

Molecular Properties

Compound Name3-(hexoxymethyl)-4-methoxyaniline
PubChem CID43134692
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(hexoxymethyl)-4-methoxyaniline
SMILESCCCCCCOCc1cc(N)ccc1OC
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-9-17-11-12-10-13(15)7-8-14(12)16-2/h7-8,10H,3-6,9,11,15H2,1-2H3
InChIKeyZXUZHZOSDKUUCU-UHFFFAOYSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(hexadecoxymethyl)benzene-1,3-diamine
CID 139899146
1-[4-methoxy-3-(octoxymethyl)phenyl]-N-methylmethanamine
CID 62018951
4-methoxy-3-(prop-2-enoxymethyl)aniline
CID 53363952
3-[4-methoxy-3-(pentoxymethyl)phenyl]prop-2-enoic acid
CID 76908991
2,5-bis(octoxymethyl)benzene-1,4-diamine
CID 100995766
4-ethoxy-3-(propoxymethyl)aniline
CID 43260240
4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline
CID 43134642
4-fluoro-2-(octoxymethyl)aniline
CID 43382254
nonyl 5-amino-2-methoxybenzoate
CID 63450276
1-[3-(butoxymethyl)-4-methoxyphenyl]ethanone
CID 43789546
2-methoxy-4-(tetradecoxymethyl)phenol
CID 15468909
4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline
CID 104560280

Frequently Asked Questions

What is the IUPAC name of 3-(hexoxymethyl)-4-methoxyaniline?
The IUPAC name of 3-(hexoxymethyl)-4-methoxyaniline (CID 43134692) is 3-(hexoxymethyl)-4-methoxyaniline.
What is the SMILES notation for 3-(hexoxymethyl)-4-methoxyaniline?
The canonical SMILES for 3-(hexoxymethyl)-4-methoxyaniline is CCCCCCOCc1cc(N)ccc1OC.
What is the InChIKey of 3-(hexoxymethyl)-4-methoxyaniline?
The InChIKey is ZXUZHZOSDKUUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-4-5-6-9-17-11-12-10-13(15)7-8-14(12)16-2/h7-8,10H,3-6,9,11,15H2,1-2H3.
What are the key properties of 3-(hexoxymethyl)-4-methoxyaniline?
3-(hexoxymethyl)-4-methoxyaniline has a molecular weight of 237.34 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexoxymethyl)-4-methoxyaniline is sourced from PubChem (CID 43134692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).