1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine

C14H21NO — CID 142071205

IUPAC1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine
SMILESC=COc1ccc(CC(C)(N)C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-5-16-13-8-6-12(7-9-13)10-14(4,15)11(2)3/h5-9,11H,1,10,15H2,2-4H3
InChIKeyQGPZEWXDQINBAF-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.12
Rot. Bonds5

About 1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine

1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine (PubChem CID 142071205) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine
PubChem CID142071205
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine
SMILESC=COc1ccc(CC(C)(N)C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-5-16-13-8-6-12(7-9-13)10-14(4,15)11(2)3/h5-9,11H,1,10,15H2,2-4H3
InChIKeyQGPZEWXDQINBAF-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine 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

(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
1,4-bis(ethenoxy)benzene;ethane
CID 145326219
(4-ethenoxyphenyl)methanol
CID 11159400
(4-ethenoxyphenyl)methyl-methylsilane
CID 162179936
1-ethenoxy-4-(6-methylheptyl)benzene
CID 67713493
1-ethenoxy-4-(2-methoxyethyl)benzene
CID 66366359
1-benzyl-4-ethenoxybenzene
CID 21364304
1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 103039245
1-dodecyl-4-ethenoxybenzene
CID 174857999
2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 95444849
1-ethenoxy-4-(4-ethenoxyphenyl)benzene
CID 58944287
1-(1,3-benzodioxol-5-yl)-2,3-dimethylbutan-2-amine
CID 82127786

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine?
The IUPAC name of 1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine (CID 142071205) is 1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine is C=COc1ccc(CC(C)(N)C(C)C)cc1.
What is the InChIKey of 1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine?
The InChIKey is QGPZEWXDQINBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-16-13-8-6-12(7-9-13)10-14(4,15)11(2)3/h5-9,11H,1,10,15H2,2-4H3.
What are the key properties of 1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine?
1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 142071205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).