4-ethoxy-N-(3-methylcyclobutyl)aniline

C13H19NO — CID 104859963

IUPAC4-ethoxy-N-(3-methylcyclobutyl)aniline
SMILESCCOc1ccc(NC2CC(C)C2)cc1
InChIInChI=1S/C13H19NO/c1-3-15-13-6-4-11(5-7-13)14-12-8-10(2)9-12/h4-7,10,12,14H,3,8-9H2,1-2H3
InChIKeyFFLKZBCFXTWEAV-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.30
Rot. Bonds4

About 4-ethoxy-N-(3-methylcyclobutyl)aniline

4-ethoxy-N-(3-methylcyclobutyl)aniline (PubChem CID 104859963) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-ethoxy-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name4-ethoxy-N-(3-methylcyclobutyl)aniline
PubChem CID104859963
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-ethoxy-N-(3-methylcyclobutyl)aniline
SMILESCCOc1ccc(NC2CC(C)C2)cc1
InChIInChI=1S/C13H19NO/c1-3-15-13-6-4-11(5-7-13)14-12-8-10(2)9-12/h4-7,10,12,14H,3,8-9H2,1-2H3
InChIKeyFFLKZBCFXTWEAV-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-(3-methylcyclobutyl)aniline
CID 104860156
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
2-[4-[(3-methylcyclobutyl)amino]phenoxy]acetamide
CID 104860036
N-(4-ethoxyphenyl)thian-4-amine
CID 43394937
N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline
CID 104860033
N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline
CID 64752605
3-chloro-4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104860046
3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline
CID 104860047
N-(4-ethoxyphenyl)oxepan-4-amine
CID 65076928
N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide
CID 104860205
4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline
CID 113467284
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 4-ethoxy-N-(3-methylcyclobutyl)aniline (CID 104859963) is 4-ethoxy-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 4-ethoxy-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 4-ethoxy-N-(3-methylcyclobutyl)aniline is CCOc1ccc(NC2CC(C)C2)cc1.
What is the InChIKey of 4-ethoxy-N-(3-methylcyclobutyl)aniline?
The InChIKey is FFLKZBCFXTWEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-15-13-6-4-11(5-7-13)14-12-8-10(2)9-12/h4-7,10,12,14H,3,8-9H2,1-2H3.
What are the key properties of 4-ethoxy-N-(3-methylcyclobutyl)aniline?
4-ethoxy-N-(3-methylcyclobutyl)aniline has a molecular weight of 205.30 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-methylcyclobutyl)aniline is sourced from PubChem (CID 104859963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).