N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine

C16H25NO2 — CID 65328700

IUPACN-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(C(NCC)C2CCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-3-11-18-14-9-7-13(8-10-14)16(17-4-2)15-6-5-12-19-15/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyCDUDFPWXMDQWIF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds7

About N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine

N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine (PubChem CID 65328700) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine
PubChem CID65328700
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(C(NCC)C2CCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-3-11-18-14-9-7-13(8-10-14)16(17-4-2)15-6-5-12-19-15/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyCDUDFPWXMDQWIF-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine 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-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[[4-(2-methoxyethyl)phenyl]-(oxolan-2-yl)methyl]ethanamine
CID 43489770
N-[(3-bromo-4-propoxyphenyl)-(oxan-2-yl)methyl]ethanamine
CID 104658037
N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine
CID 62798503
N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
N-[(3,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328304
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481680
N-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine
CID 115853352
N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65328590
2-(oxolan-2-ylmethylamino)-2-(4-propoxyphenyl)acetamide
CID 62497281
3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 65162391

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine (CID 65328700) is N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine is CCCOc1ccc(C(NCC)C2CCCO2)cc1.
What is the InChIKey of N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine?
The InChIKey is CDUDFPWXMDQWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-11-18-14-9-7-13(8-10-14)16(17-4-2)15-6-5-12-19-15/h7-10,15-17H,3-6,11-12H2,1-2H3.
What are the key properties of N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine?
N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 65328700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).