1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine

C16H25NO — CID 116723376

IUPAC1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine
SMILESCCOC(C1CC1)C(Cc1ccc(C)cc1)NC
InChIInChI=1S/C16H25NO/c1-4-18-16(14-9-10-14)15(17-3)11-13-7-5-12(2)6-8-13/h5-8,14-17H,4,9-11H2,1-3H3
InChIKeyJGHYIAQDBHMOAP-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.94
Rot. Bonds7

About 1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine

1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine (PubChem CID 116723376) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine
PubChem CID116723376
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine
SMILESCCOC(C1CC1)C(Cc1ccc(C)cc1)NC
InChIInChI=1S/C16H25NO/c1-4-18-16(14-9-10-14)15(17-3)11-13-7-5-12(2)6-8-13/h5-8,14-17H,4,9-11H2,1-3H3
InChIKeyJGHYIAQDBHMOAP-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-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

3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
1-cyclopropyl-1-ethoxy-N-methylbutan-2-amine
CID 116723276
[3-(4-tert-butylphenyl)-1-cyclopropyl-1-ethoxypropan-2-yl]hydrazine
CID 105273143
[1-cyclopropyl-1-ethoxy-3-(4-propan-2-ylphenyl)propan-2-yl]hydrazine
CID 105272958
1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723632
1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 116772204
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine
CID 116723444
3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
CID 116723414
3-(2-bromo-4-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
CID 116723316
1-cyclopropyl-1,3-diethoxy-N-methylpropan-2-amine
CID 116723302
1-cyclopropyl-1-ethoxy-N-methyl-3-quinolin-4-ylpropan-2-amine
CID 116723331
1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723664

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine (CID 116723376) is 1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine is CCOC(C1CC1)C(Cc1ccc(C)cc1)NC.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine?
The InChIKey is JGHYIAQDBHMOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-18-16(14-9-10-14)15(17-3)11-13-7-5-12(2)6-8-13/h5-8,14-17H,4,9-11H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine?
1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 116723376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).