2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline

C15H25NO — CID 142253352

IUPAC2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline
SMILESCCCC(C)(CC)c1cc(C)cc(N)c1OC
InChIInChI=1S/C15H25NO/c1-6-8-15(4,7-2)12-9-11(3)10-13(16)14(12)17-5/h9-10H,6-8,16H2,1-5H3
InChIKeyBVVMSPOORPUMDE-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.05
Rot. Bonds5

About 2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline

2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline (PubChem CID 142253352) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline
PubChem CID142253352
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline
SMILESCCCC(C)(CC)c1cc(C)cc(N)c1OC
InChIInChI=1S/C15H25NO/c1-6-8-15(4,7-2)12-9-11(3)10-13(16)14(12)17-5/h9-10H,6-8,16H2,1-5H3
InChIKeyBVVMSPOORPUMDE-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene
CID 146376962
2,3-dimethoxy-5-methylaniline
CID 14263216
ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate
CID 5239443
2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]propan-2-amine
CID 117359983
3-methoxy-4-(3-methylhexan-3-yl)pyridine
CID 154951744
1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]-2-methylpropan-2-amine
CID 117396642
5-tert-butyl-2-methoxy-3-methylaniline
CID 21353746
3-(1-aminoethyl)-2-methoxy-5-methylaniline
CID 82630793
4-(2-methoxy-5-methylphenyl)heptan-4-amine
CID 54886794
3-amino-2-methoxy-5-methylbenzamide
CID 50882289
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
3-methyl-5-(3-methylhexan-3-yl)pyridine
CID 126590839

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline?
The IUPAC name of 2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline (CID 142253352) is 2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline.
What is the SMILES notation for 2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline?
The canonical SMILES for 2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline is CCCC(C)(CC)c1cc(C)cc(N)c1OC.
What is the InChIKey of 2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline?
The InChIKey is BVVMSPOORPUMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-8-15(4,7-2)12-9-11(3)10-13(16)14(12)17-5/h9-10H,6-8,16H2,1-5H3.
What are the key properties of 2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline?
2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline has a molecular weight of 235.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-3-(3-methylhexan-3-yl)aniline is sourced from PubChem (CID 142253352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).