N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine

C14H21NO2 — CID 43214097

IUPACN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C14H21NO2/c1-2-15-10-12-5-7-13(8-6-12)17-11-14-4-3-9-16-14/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeySIOCINLZYDXNGH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.35
Rot. Bonds6

About N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 43214097) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID43214097
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C14H21NO2/c1-2-15-10-12-5-7-13(8-6-12)17-11-14-4-3-9-16-14/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeySIOCINLZYDXNGH-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine
CID 54797389
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide
CID 47070193
N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 54846758
3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol
CID 111469000
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799559
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
N-[[3-bromo-4-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55147134
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
2,5-dichloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]aniline
CID 54798356
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546
(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol
CID 111422052

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine (CID 43214097) is N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is SIOCINLZYDXNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-15-10-12-5-7-13(8-6-12)17-11-14-4-3-9-16-14/h5-8,14-15H,2-4,9-11H2,1H3.
What are the key properties of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine?
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43214097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).