3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol

C17H29NO2 — CID 103783067

IUPAC3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc(C)cc1OC
InChIInChI=1S/C17H29NO2/c1-6-14(7-2)16(19)11-18-13(4)15-9-8-12(3)10-17(15)20-5/h8-10,13-14,16,18-19H,6-7,11H2,1-5H3
InChIKeyNETCQICZLVKTLM-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.45
Rot. Bonds8

About 3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol

3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol (PubChem CID 103783067) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol
PubChem CID103783067
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc(C)cc1OC
InChIInChI=1S/C17H29NO2/c1-6-14(7-2)16(19)11-18-13(4)15-9-8-12(3)10-17(15)20-5/h8-10,13-14,16,18-19H,6-7,11H2,1-5H3
InChIKeyNETCQICZLVKTLM-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol 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-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904386
1-cyclopropyl-2-[1-(2-methoxy-4-methylphenyl)ethylamino]ethanol
CID 55171592
2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol
CID 106790666
3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol
CID 65105446
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine
CID 115896280
[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
CID 107230187
1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol
CID 83909356
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 113261809
1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 113261692
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021
tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate
CID 81463582

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol (CID 103783067) is 3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol is CCC(CC)C(O)CNC(C)c1ccc(C)cc1OC.
What is the InChIKey of 3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol?
The InChIKey is NETCQICZLVKTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-14(7-2)16(19)11-18-13(4)15-9-8-12(3)10-17(15)20-5/h8-10,13-14,16,18-19H,6-7,11H2,1-5H3.
What are the key properties of 3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol?
3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol is sourced from PubChem (CID 103783067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).