N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine

C14H21NO2 — CID 61311099

IUPACN-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCC2CCOC2)cc1
InChIInChI=1S/C14H21NO2/c1-2-15-9-12-3-5-14(6-4-12)17-11-13-7-8-16-10-13/h3-6,13,15H,2,7-11H2,1H3
InChIKeyBSUUBFNUYUSEQO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds6

About N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine

N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 61311099) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID61311099
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCC2CCOC2)cc1
InChIInChI=1S/C14H21NO2/c1-2-15-9-12-3-5-14(6-4-12)17-11-13-7-8-16-10-13/h3-6,13,15H,2,7-11H2,1H3
InChIKeyBSUUBFNUYUSEQO-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(oxolan-3-ylmethoxy)phenyl]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

1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one
CID 115495368
N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63557924
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
CID 82753827
(1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol
CID 78932077
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
2-[4-[(oxolan-3-ylmethylamino)methyl]phenoxy]acetonitrile
CID 54931993
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61313216
1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine
CID 115495135
3-[(4-iodophenoxy)methyl]oxolane
CID 60772514
N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 107695487
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
2-methyl-4-(oxolan-3-ylmethoxy)aniline
CID 61313415

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine (CID 61311099) is N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1ccc(OCC2CCOC2)cc1.
What is the InChIKey of N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is BSUUBFNUYUSEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-15-9-12-3-5-14(6-4-12)17-11-13-7-8-16-10-13/h3-6,13,15H,2,7-11H2,1H3.
What are the key properties of N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine?
N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 61311099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).