5-methoxy-2-(2-methylpentoxy)aniline

C13H21NO2 — CID 62266736

IUPAC5-methoxy-2-(2-methylpentoxy)aniline
SMILESCCCC(C)COc1ccc(OC)cc1N
InChIInChI=1S/C13H21NO2/c1-4-5-10(2)9-16-13-7-6-11(15-3)8-12(13)14/h6-8,10H,4-5,9,14H2,1-3H3
InChIKeyPXEIEFMBTCOCIC-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.09
Rot. Bonds6

About 5-methoxy-2-(2-methylpentoxy)aniline

5-methoxy-2-(2-methylpentoxy)aniline (PubChem CID 62266736) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylpentoxy)aniline.

Molecular Properties

Compound Name5-methoxy-2-(2-methylpentoxy)aniline
PubChem CID62266736
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name5-methoxy-2-(2-methylpentoxy)aniline
SMILESCCCC(C)COc1ccc(OC)cc1N
InChIInChI=1S/C13H21NO2/c1-4-5-10(2)9-16-13-7-6-11(15-3)8-12(13)14/h6-8,10H,4-5,9,14H2,1-3H3
InChIKeyPXEIEFMBTCOCIC-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-(2-methylpentoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-(2-methylbutoxy)aniline
CID 62103254
4,5-dimethoxy-2-(2-methylpentoxy)aniline
CID 103282951
2-methoxy-4-(2-methylpentoxy)aniline
CID 103282930
1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 62266259
2-(2-methylpentoxy)-5-(trifluoromethyl)aniline
CID 45075240
2-(2-methylpentoxy)aniline
CID 45075234
(NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 82001926
5-methoxy-2-nonoxyaniline
CID 43128995
N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63485491
3-iodo-4-(2-methylpentoxy)aniline
CID 103282911
3-[4-methoxy-2-(2-methylpentoxy)phenyl]prop-2-enoic acid
CID 76937903
4-[3-(2,4-diaminophenoxy)-2-methylpropoxy]benzene-1,3-diamine
CID 20551654

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylpentoxy)aniline?
The IUPAC name of 5-methoxy-2-(2-methylpentoxy)aniline (CID 62266736) is 5-methoxy-2-(2-methylpentoxy)aniline.
What is the SMILES notation for 5-methoxy-2-(2-methylpentoxy)aniline?
The canonical SMILES for 5-methoxy-2-(2-methylpentoxy)aniline is CCCC(C)COc1ccc(OC)cc1N.
What is the InChIKey of 5-methoxy-2-(2-methylpentoxy)aniline?
The InChIKey is PXEIEFMBTCOCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-5-10(2)9-16-13-7-6-11(15-3)8-12(13)14/h6-8,10H,4-5,9,14H2,1-3H3.
What are the key properties of 5-methoxy-2-(2-methylpentoxy)aniline?
5-methoxy-2-(2-methylpentoxy)aniline has a molecular weight of 223.32 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylpentoxy)aniline is sourced from PubChem (CID 62266736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).