2-butyl-4-methoxy-3-methylaniline

C12H19NO — CID 134964054

IUPAC2-butyl-4-methoxy-3-methylaniline
SMILESCCCCc1c(N)ccc(OC)c1C
InChIInChI=1S/C12H19NO/c1-4-5-6-10-9(2)12(14-3)8-7-11(10)13/h7-8H,4-6,13H2,1-3H3
InChIKeyFJIFNYQFTDGYFB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.93
Rot. Bonds4

About 2-butyl-4-methoxy-3-methylaniline

2-butyl-4-methoxy-3-methylaniline (PubChem CID 134964054) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-butyl-4-methoxy-3-methylaniline.

Molecular Properties

Compound Name2-butyl-4-methoxy-3-methylaniline
PubChem CID134964054
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-butyl-4-methoxy-3-methylaniline
SMILESCCCCc1c(N)ccc(OC)c1C
InChIInChI=1S/C12H19NO/c1-4-5-6-10-9(2)12(14-3)8-7-11(10)13/h7-8H,4-6,13H2,1-3H3
InChIKeyFJIFNYQFTDGYFB-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.93
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

2,3-dibutyl-4-methoxyaniline
CID 175061118
2-butyl-1-methoxy-3,4-dimethylbenzene
CID 150631165
4-methoxy-2,3-dimethylaniline
CID 11094809
2-butyl-1,3-dimethoxybenzene
CID 524840
2,3-dihexylbenzene-1,4-diamine
CID 18324632
2,4-dihexyl-3-methylaniline
CID 174875923
4-bromo-3-methyl-2-pentylaniline
CID 70568327
1,3-dibutyl-2,4-dimethoxybenzene
CID 162495747
3-methoxy-2-propylaniline
CID 70555018
2,4-dimethyl-3-pentylaniline
CID 68571869
O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine
CID 117286966
2-(3,6-dimethoxy-2-methylphenyl)ethanol
CID 117286361

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methoxy-3-methylaniline?
The IUPAC name of 2-butyl-4-methoxy-3-methylaniline (CID 134964054) is 2-butyl-4-methoxy-3-methylaniline.
What is the SMILES notation for 2-butyl-4-methoxy-3-methylaniline?
The canonical SMILES for 2-butyl-4-methoxy-3-methylaniline is CCCCc1c(N)ccc(OC)c1C.
What is the InChIKey of 2-butyl-4-methoxy-3-methylaniline?
The InChIKey is FJIFNYQFTDGYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-6-10-9(2)12(14-3)8-7-11(10)13/h7-8H,4-6,13H2,1-3H3.
What are the key properties of 2-butyl-4-methoxy-3-methylaniline?
2-butyl-4-methoxy-3-methylaniline has a molecular weight of 193.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methoxy-3-methylaniline is sourced from PubChem (CID 134964054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).