2,5-dimethoxy-N-octan-2-ylaniline

C16H27NO2 — CID 43129776

IUPAC2,5-dimethoxy-N-octan-2-ylaniline
SMILESCCCCCCC(C)Nc1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO2/c1-5-6-7-8-9-13(2)17-15-12-14(18-3)10-11-16(15)19-4/h10-13,17H,5-9H2,1-4H3
InChIKeyMGZKUTDJIIBLFN-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.47
Rot. Bonds9

About 2,5-dimethoxy-N-octan-2-ylaniline

2,5-dimethoxy-N-octan-2-ylaniline (PubChem CID 43129776) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,5-dimethoxy-N-octan-2-ylaniline.

Molecular Properties

Compound Name2,5-dimethoxy-N-octan-2-ylaniline
PubChem CID43129776
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2,5-dimethoxy-N-octan-2-ylaniline
SMILESCCCCCCC(C)Nc1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO2/c1-5-6-7-8-9-13(2)17-15-12-14(18-3)10-11-16(15)19-4/h10-13,17H,5-9H2,1-4H3
InChIKeyMGZKUTDJIIBLFN-UHFFFAOYSA-N
XLogP4.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-nonan-2-ylaniline
CID 43129720
N-hexan-2-yl-2-methoxy-5-methylaniline
CID 43761107
N-heptan-2-yl-2-methoxy-5-nitroaniline
CID 43717718
(2S)-N-[(2,5-dimethoxyphenyl)methyl]heptan-2-amine
CID 93035260
2,5-diethoxy-N-hexan-2-ylaniline
CID 43759242
4-methoxy-3-methyl-N-nonan-2-ylaniline
CID 55193321
3-chloro-4-methoxy-N-nonan-2-ylaniline
CID 43129722
N-hexan-2-yl-2-methoxy-5-nitroaniline
CID 43785353
N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
CID 43478801
2,5-dimethoxy-N-(1-phenylbutyl)aniline
CID 43099657
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
5-tert-butyl-2-methoxy-N-pentan-2-ylaniline
CID 43681220

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-octan-2-ylaniline?
The IUPAC name of 2,5-dimethoxy-N-octan-2-ylaniline (CID 43129776) is 2,5-dimethoxy-N-octan-2-ylaniline.
What is the SMILES notation for 2,5-dimethoxy-N-octan-2-ylaniline?
The canonical SMILES for 2,5-dimethoxy-N-octan-2-ylaniline is CCCCCCC(C)Nc1cc(OC)ccc1OC.
What is the InChIKey of 2,5-dimethoxy-N-octan-2-ylaniline?
The InChIKey is MGZKUTDJIIBLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-6-7-8-9-13(2)17-15-12-14(18-3)10-11-16(15)19-4/h10-13,17H,5-9H2,1-4H3.
What are the key properties of 2,5-dimethoxy-N-octan-2-ylaniline?
2,5-dimethoxy-N-octan-2-ylaniline has a molecular weight of 265.40 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-octan-2-ylaniline is sourced from PubChem (CID 43129776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).