2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine

C17H29NO — CID 116721056

IUPAC2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
SMILESCCOC(C(C)C)C(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-7-19-17(13(4)5)16(18-6)15-10-8-14(9-11-15)12(2)3/h8-13,16-18H,7H2,1-6H3
InChIKeySJFLMIFZXKQUQJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.13
Rot. Bonds7

About 2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine

2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine (PubChem CID 116721056) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
PubChem CID116721056
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
SMILESCCOC(C(C)C)C(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-7-19-17(13(4)5)16(18-6)15-10-8-14(9-11-15)12(2)3/h8-13,16-18H,7H2,1-6H3
InChIKeySJFLMIFZXKQUQJ-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-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,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326
2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 116723290
2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 116721227
2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116721090
2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
CID 116721238
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine
CID 116721317
1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 116721324
2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 116721271
2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine
CID 116721032
3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 116721457
1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine
CID 116721183

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of 2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine (CID 116721056) is 2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine is CCOC(C(C)C)C(NC)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine?
The InChIKey is SJFLMIFZXKQUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-19-17(13(4)5)16(18-6)15-10-8-14(9-11-15)12(2)3/h8-13,16-18H,7H2,1-6H3.
What are the key properties of 2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine?
2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 116721056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).