N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine

C15H25NO — CID 62549610

IUPACN-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine
SMILESCCCc1ccc(OCC(C)CNCC)cc1
InChIInChI=1S/C15H25NO/c1-4-6-14-7-9-15(10-8-14)17-12-13(3)11-16-5-2/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyZOLUVFGDQWTVFP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.26
Rot. Bonds8

About N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine

N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine (PubChem CID 62549610) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine
PubChem CID62549610
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine
SMILESCCCc1ccc(OCC(C)CNCC)cc1
InChIInChI=1S/C15H25NO/c1-4-6-14-7-9-15(10-8-14)17-12-13(3)11-16-5-2/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyZOLUVFGDQWTVFP-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-methyl-3-(4-propylphenoxy)propan-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-methyl-N-propyl-3-(4-propylphenoxy)propan-1-amine
CID 62549611
2-[4-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107709363
1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol
CID 62548727
3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 64666892
3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62486090
3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine
CID 62459947
3-(4-butylphenoxy)-2-methylpropan-1-amine
CID 115492916
N-methyl-1-(4-propylphenoxy)pentan-2-amine
CID 62548560
2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840
1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene
CID 134183971
3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine
CID 62548208
N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine (CID 62549610) is N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine is CCCc1ccc(OCC(C)CNCC)cc1.
What is the InChIKey of N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine?
The InChIKey is ZOLUVFGDQWTVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-14-7-9-15(10-8-14)17-12-13(3)11-16-5-2/h7-10,13,16H,4-6,11-12H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine?
N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine is sourced from PubChem (CID 62549610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).