5-methoxy-2-(methoxymethoxy)-3-octylaniline

C17H29NO3 — CID 22099472

IUPAC5-methoxy-2-(methoxymethoxy)-3-octylaniline
SMILESCCCCCCCCc1cc(OC)cc(N)c1OCOC
InChIInChI=1S/C17H29NO3/c1-4-5-6-7-8-9-10-14-11-15(20-3)12-16(18)17(14)21-13-19-2/h11-12H,4-10,13,18H2,1-3H3
InChIKeyVPLSBOKSBLNDFE-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.16
Rot. Bonds11

About 5-methoxy-2-(methoxymethoxy)-3-octylaniline

5-methoxy-2-(methoxymethoxy)-3-octylaniline (PubChem CID 22099472) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 5-methoxy-2-(methoxymethoxy)-3-octylaniline.

Molecular Properties

Compound Name5-methoxy-2-(methoxymethoxy)-3-octylaniline
PubChem CID22099472
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name5-methoxy-2-(methoxymethoxy)-3-octylaniline
SMILESCCCCCCCCc1cc(OC)cc(N)c1OCOC
InChIInChI=1S/C17H29NO3/c1-4-5-6-7-8-9-10-14-11-15(20-3)12-16(18)17(14)21-13-19-2/h11-12H,4-10,13,18H2,1-3H3
InChIKeyVPLSBOKSBLNDFE-UHFFFAOYSA-N
XLogP4.16
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-butyl-4-methoxy-1-(methoxymethoxy)benzene
CID 139851851
2-fluoro-4-(methoxymethoxy)-1-pentylbenzene
CID 58719021
2,4-dimethoxy-6-pentylphenol
CID 13197794
5-methoxy-2-nonoxyaniline
CID 43128995
1,5-dimethoxy-2-methylsulfanyl-3-pentylbenzene
CID 156744288
1-decyl-2,4-dimethoxybenzene
CID 524862
5-(3,4-dimethoxy-5-pentadecylphenyl)-1-heptadecyl-2,3-dimethoxybenzene
CID 86127224
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-butyl-2,5-dimethoxy-3,6-bis(methoxymethoxy)-4-[5-[2,4,5-trimethoxy-3,6-bis(methoxymethoxy)phenyl]pentyl]benzene
CID 19757236
1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
1-butyl-3-(3-iodo-2,5-dimethoxyphenyl)-2,5-dimethoxybenzene
CID 163664325

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(methoxymethoxy)-3-octylaniline?
The IUPAC name of 5-methoxy-2-(methoxymethoxy)-3-octylaniline (CID 22099472) is 5-methoxy-2-(methoxymethoxy)-3-octylaniline.
What is the SMILES notation for 5-methoxy-2-(methoxymethoxy)-3-octylaniline?
The canonical SMILES for 5-methoxy-2-(methoxymethoxy)-3-octylaniline is CCCCCCCCc1cc(OC)cc(N)c1OCOC.
What is the InChIKey of 5-methoxy-2-(methoxymethoxy)-3-octylaniline?
The InChIKey is VPLSBOKSBLNDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-5-6-7-8-9-10-14-11-15(20-3)12-16(18)17(14)21-13-19-2/h11-12H,4-10,13,18H2,1-3H3.
What are the key properties of 5-methoxy-2-(methoxymethoxy)-3-octylaniline?
5-methoxy-2-(methoxymethoxy)-3-octylaniline has a molecular weight of 295.42 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(methoxymethoxy)-3-octylaniline is sourced from PubChem (CID 22099472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).