N-cyclobutyl-4-ethoxy-3-methylaniline

C13H19NO — CID 115884846

IUPACN-cyclobutyl-4-ethoxy-3-methylaniline
SMILESCCOc1ccc(NC2CCC2)cc1C
InChIInChI=1S/C13H19NO/c1-3-15-13-8-7-12(9-10(13)2)14-11-5-4-6-11/h7-9,11,14H,3-6H2,1-2H3
InChIKeyRWMIPBPXJTVMKQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.36
Rot. Bonds4

About N-cyclobutyl-4-ethoxy-3-methylaniline

N-cyclobutyl-4-ethoxy-3-methylaniline (PubChem CID 115884846) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-cyclobutyl-4-ethoxy-3-methylaniline.

Molecular Properties

Compound NameN-cyclobutyl-4-ethoxy-3-methylaniline
PubChem CID115884846
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-cyclobutyl-4-ethoxy-3-methylaniline
SMILESCCOc1ccc(NC2CCC2)cc1C
InChIInChI=1S/C13H19NO/c1-3-15-13-8-7-12(9-10(13)2)14-11-5-4-6-11/h7-9,11,14H,3-6H2,1-2H3
InChIKeyRWMIPBPXJTVMKQ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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

N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091463
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline
CID 64624416
N-(3,4-diethoxyphenyl)-1-methylazepan-4-amine
CID 65071088
N-(3-chloro-4-ethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083347
N-(4-ethoxy-3-fluorophenyl)oxepan-4-amine
CID 115919016
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070278
4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
CID 106594412
N-(3-ethoxy-4-methylphenyl)oxolan-3-amine
CID 115744217
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-ethoxy-3-methylaniline?
The IUPAC name of N-cyclobutyl-4-ethoxy-3-methylaniline (CID 115884846) is N-cyclobutyl-4-ethoxy-3-methylaniline.
What is the SMILES notation for N-cyclobutyl-4-ethoxy-3-methylaniline?
The canonical SMILES for N-cyclobutyl-4-ethoxy-3-methylaniline is CCOc1ccc(NC2CCC2)cc1C.
What is the InChIKey of N-cyclobutyl-4-ethoxy-3-methylaniline?
The InChIKey is RWMIPBPXJTVMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-15-13-8-7-12(9-10(13)2)14-11-5-4-6-11/h7-9,11,14H,3-6H2,1-2H3.
What are the key properties of N-cyclobutyl-4-ethoxy-3-methylaniline?
N-cyclobutyl-4-ethoxy-3-methylaniline has a molecular weight of 205.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-ethoxy-3-methylaniline is sourced from PubChem (CID 115884846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).