N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine

C16H25NO2 — CID 63640291

IUPACN-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(C)cc1OC1CCOC1
InChIInChI=1S/C16H25NO2/c1-4-8-17-13(3)15-6-5-12(2)10-16(15)19-14-7-9-18-11-14/h5-6,10,13-14,17H,4,7-9,11H2,1-3H3
InChIKeyWOUAIHQCAWEABN-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.22
Rot. Bonds6

About N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine

N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine (PubChem CID 63640291) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine
PubChem CID63640291
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(C)cc1OC1CCOC1
InChIInChI=1S/C16H25NO2/c1-4-8-17-13(3)15-6-5-12(2)10-16(15)19-14-7-9-18-11-14/h5-6,10,13-14,17H,4,7-9,11H2,1-3H3
InChIKeyWOUAIHQCAWEABN-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]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

N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556969
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63557142
(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135084
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
CID 63935405
1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932279
1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 63556776
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanol
CID 63935425
N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine
CID 107134501
N-[1-[4-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82976457
N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
CID 55246297
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine
CID 63557845
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride
CID 119340205

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine (CID 63640291) is N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(C)cc1OC1CCOC1.
What is the InChIKey of N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine?
The InChIKey is WOUAIHQCAWEABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-8-17-13(3)15-6-5-12(2)10-16(15)19-14-7-9-18-11-14/h5-6,10,13-14,17H,4,7-9,11H2,1-3H3.
What are the key properties of N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine?
N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63640291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).