N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine

C14H23NO — CID 62724934

IUPACN-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)Cc1ccccc1OC
InChIInChI=1S/C14H23NO/c1-5-15-11-14(2,3)10-12-8-6-7-9-13(12)16-4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyKPJPEXVELMPWGH-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.87
Rot. Bonds6

About N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine

N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 62724934) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
PubChem CID62724934
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)Cc1ccccc1OC
InChIInChI=1S/C14H23NO/c1-5-15-11-14(2,3)10-12-8-6-7-9-13(12)16-4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyKPJPEXVELMPWGH-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-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

N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 81021747
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62723751
3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62725326
N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627245
2-(ethylamino)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61056299
N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 119506968
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 62724215
N-ethyl-2-(2-methoxyphenoxy)-2-methylbutan-1-amine
CID 62354236
N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine
CID 79626871
2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 55106604
N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine
CID 80605039
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine (CID 62724934) is N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine is CCNCC(C)(C)Cc1ccccc1OC.
What is the InChIKey of N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is KPJPEXVELMPWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-15-11-14(2,3)10-12-8-6-7-9-13(12)16-4/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 62724934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).