2-ethyl-4-(1-methylcyclopropyl)oxyaniline

C12H17NO — CID 130414128

IUPAC2-ethyl-4-(1-methylcyclopropyl)oxyaniline
SMILESCCc1cc(OC2(C)CC2)ccc1N
InChIInChI=1S/C12H17NO/c1-3-9-8-10(4-5-11(9)13)14-12(2)6-7-12/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyHCYBULPYOCVQBX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.76
Rot. Bonds3

About 2-ethyl-4-(1-methylcyclopropyl)oxyaniline

2-ethyl-4-(1-methylcyclopropyl)oxyaniline (PubChem CID 130414128) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-ethyl-4-(1-methylcyclopropyl)oxyaniline.

Molecular Properties

Compound Name2-ethyl-4-(1-methylcyclopropyl)oxyaniline
PubChem CID130414128
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-ethyl-4-(1-methylcyclopropyl)oxyaniline
SMILESCCc1cc(OC2(C)CC2)ccc1N
InChIInChI=1S/C12H17NO/c1-3-9-8-10(4-5-11(9)13)14-12(2)6-7-12/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyHCYBULPYOCVQBX-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-(1-methylcyclopropyl)oxyaniline 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

4-[4-[4-(4-amino-3-ethylphenoxy)phenyl]sulfanylphenoxy]-2-ethylaniline
CID 139713087
3-(1-methylcyclohexyl)oxyaniline
CID 117045745
bis(4-(4-amino-3-ethylphenyl)-2-ethylaniline);hydrate
CID 174861024
2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid
CID 117045788
2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 115414111
2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline
CID 66725908
4-(1-methylcyclopentyl)oxybenzoic acid
CID 117045761
4-(1-methylcyclopropyl)oxy-2-(6-methylpyrimidine-4-carboximidoyl)aniline
CID 165137446
4-N,2-diethylbenzene-1,4-diamine
CID 69192870
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765
4-(3,4-dimethylphenyl)-2-ethylaniline
CID 81287148
4-N,4-N,2-triethylbenzene-1,4-diamine;hydrochloride
CID 68622660

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1-methylcyclopropyl)oxyaniline?
The IUPAC name of 2-ethyl-4-(1-methylcyclopropyl)oxyaniline (CID 130414128) is 2-ethyl-4-(1-methylcyclopropyl)oxyaniline.
What is the SMILES notation for 2-ethyl-4-(1-methylcyclopropyl)oxyaniline?
The canonical SMILES for 2-ethyl-4-(1-methylcyclopropyl)oxyaniline is CCc1cc(OC2(C)CC2)ccc1N.
What is the InChIKey of 2-ethyl-4-(1-methylcyclopropyl)oxyaniline?
The InChIKey is HCYBULPYOCVQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-9-8-10(4-5-11(9)13)14-12(2)6-7-12/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of 2-ethyl-4-(1-methylcyclopropyl)oxyaniline?
2-ethyl-4-(1-methylcyclopropyl)oxyaniline has a molecular weight of 191.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-methylcyclopropyl)oxyaniline is sourced from PubChem (CID 130414128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).