N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine

C13H21NO2 — CID 43276423

IUPACN-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
SMILESCCOc1ccc(OC)cc1CNC(C)C
InChIInChI=1S/C13H21NO2/c1-5-16-13-7-6-12(15-4)8-11(13)9-14-10(2)3/h6-8,10,14H,5,9H2,1-4H3
InChIKeyISVMDVAGXLYZEP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.59
Rot. Bonds6

About N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine

N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine (PubChem CID 43276423) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
PubChem CID43276423
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
SMILESCCOc1ccc(OC)cc1CNC(C)C
InChIInChI=1S/C13H21NO2/c1-5-16-13-7-6-12(15-4)8-11(13)9-14-10(2)3/h6-8,10,14H,5,9H2,1-4H3
InChIKeyISVMDVAGXLYZEP-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-ethoxy-5-methoxyphenyl)methyl]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

N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 65364769
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 81106019
N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine
CID 2988040
2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 97179200
4-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanenitrile
CID 60878158
N-[[2-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 60878155
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
N-[[5-methoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]propan-2-amine
CID 116614941
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444
4-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-2,2-dimethylbutanenitrile
CID 65249887

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine (CID 43276423) is N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine is CCOc1ccc(OC)cc1CNC(C)C.
What is the InChIKey of N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine?
The InChIKey is ISVMDVAGXLYZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-16-13-7-6-12(15-4)8-11(13)9-14-10(2)3/h6-8,10,14H,5,9H2,1-4H3.
What are the key properties of N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine?
N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43276423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).