3-ethyl-4-(2-methylpropoxy)aniline

C12H19NO — CID 146676297

IUPAC3-ethyl-4-(2-methylpropoxy)aniline
SMILESCCc1cc(N)ccc1OCC(C)C
InChIInChI=1S/C12H19NO/c1-4-10-7-11(13)5-6-12(10)14-8-9(2)3/h5-7,9H,4,8,13H2,1-3H3
InChIKeyKVORPJMFJICYCJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.87
Rot. Bonds4

About 3-ethyl-4-(2-methylpropoxy)aniline

3-ethyl-4-(2-methylpropoxy)aniline (PubChem CID 146676297) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-ethyl-4-(2-methylpropoxy)aniline.

Molecular Properties

Compound Name3-ethyl-4-(2-methylpropoxy)aniline
PubChem CID146676297
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-ethyl-4-(2-methylpropoxy)aniline
SMILESCCc1cc(N)ccc1OCC(C)C
InChIInChI=1S/C12H19NO/c1-4-10-7-11(13)5-6-12(10)14-8-9(2)3/h5-7,9H,4,8,13H2,1-3H3
InChIKeyKVORPJMFJICYCJ-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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

3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride
CID 99109853
5-amino-N,N-diethyl-2-(2-methylpropoxy)benzamide
CID 134821733
methyl 5-amino-2-(2-methylpropoxy)benzoate
CID 61307222
2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine
CID 60905190
4-amino-2-(2-methylpropoxy)benzonitrile
CID 122504415
4-ethoxy-3-(3-methylbutylsulfonylmethyl)aniline
CID 107751673
4-[3-(2,4-diaminophenoxy)-2-methylpropoxy]benzene-1,3-diamine
CID 20551654
4-(2-methylpropoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 75486350
3-(butan-2-ylsulfonylmethyl)-4-ethoxyaniline
CID 43382318
1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine
CID 54849719
2-[5-methyl-2-(2-methylpropoxy)phenyl]acetic acid
CID 39103888
3-amino-4-(2-methylpropoxy)benzenesulfonic acid
CID 21223116

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-methylpropoxy)aniline?
The IUPAC name of 3-ethyl-4-(2-methylpropoxy)aniline (CID 146676297) is 3-ethyl-4-(2-methylpropoxy)aniline.
What is the SMILES notation for 3-ethyl-4-(2-methylpropoxy)aniline?
The canonical SMILES for 3-ethyl-4-(2-methylpropoxy)aniline is CCc1cc(N)ccc1OCC(C)C.
What is the InChIKey of 3-ethyl-4-(2-methylpropoxy)aniline?
The InChIKey is KVORPJMFJICYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-10-7-11(13)5-6-12(10)14-8-9(2)3/h5-7,9H,4,8,13H2,1-3H3.
What are the key properties of 3-ethyl-4-(2-methylpropoxy)aniline?
3-ethyl-4-(2-methylpropoxy)aniline has a molecular weight of 193.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-methylpropoxy)aniline is sourced from PubChem (CID 146676297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).