2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine

C18H31NO2 — CID 116725574

IUPAC2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine
SMILESCCCOc1ccccc1C(NC)C(OCC)C(C)(C)C
InChIInChI=1S/C18H31NO2/c1-7-13-21-15-12-10-9-11-14(15)16(19-6)17(20-8-2)18(3,4)5/h9-12,16-17,19H,7-8,13H2,1-6H3
InChIKeyHWGYNCNJOGNERG-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.19
Rot. Bonds8

About 2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine

2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine (PubChem CID 116725574) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine
PubChem CID116725574
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine
SMILESCCCOc1ccccc1C(NC)C(OCC)C(C)(C)C
InChIInChI=1S/C18H31NO2/c1-7-13-21-15-12-10-9-11-14(15)16(19-6)17(20-8-2)18(3,4)5/h9-12,16-17,19H,7-8,13H2,1-6H3
InChIKeyHWGYNCNJOGNERG-UHFFFAOYSA-N
XLogP4.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)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

2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 116725452
1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115853624
2-ethoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659557
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
[2-ethoxy-3,3-dimethyl-1-(2-methylphenyl)butyl]hydrazine
CID 105273631
2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
CID 79496366
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
CID 104660213
[1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273639
1-(2-propoxyphenyl)ethanol
CID 43503976
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine?
The IUPAC name of 2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine (CID 116725574) is 2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine is CCCOc1ccccc1C(NC)C(OCC)C(C)(C)C.
What is the InChIKey of 2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine?
The InChIKey is HWGYNCNJOGNERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-7-13-21-15-12-10-9-11-14(15)16(19-6)17(20-8-2)18(3,4)5/h9-12,16-17,19H,7-8,13H2,1-6H3.
What are the key properties of 2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine?
2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine is sourced from PubChem (CID 116725574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).