N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine

C16H25NO2 — CID 62904851

IUPACN-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CCOc2ccccc2)CCOCC1
InChIInChI=1S/C16H25NO2/c1-2-17-14-16(8-11-18-12-9-16)10-13-19-15-6-4-3-5-7-15/h3-7,17H,2,8-14H2,1H3
InChIKeyBOUMFGDNQWHTIM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.86
Rot. Bonds7

About N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine

N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine (PubChem CID 62904851) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine
PubChem CID62904851
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CCOc2ccccc2)CCOCC1
InChIInChI=1S/C16H25NO2/c1-2-17-14-16(8-11-18-12-9-16)10-13-19-15-6-4-3-5-7-15/h3-7,17H,2,8-14H2,1H3
InChIKeyBOUMFGDNQWHTIM-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]ethanamine
CID 66023995
N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 62719737
N-methyl-1-[3-(2-phenoxyethyl)oxolan-3-yl]methanamine
CID 62717701
N-[[4-(2-phenylsulfanylethyl)oxan-4-yl]methyl]ethanamine
CID 79228269
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine
CID 66025781
N-[[4-[(2-chlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 62904848
N-methyl-1-[3-(2-phenoxyethyl)oxan-3-yl]methanamine
CID 55151607
N-[(4-ethyloxan-4-yl)methyl]ethanamine
CID 62907127
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 102940530
2-methyl-N-[[1-(2-phenoxyethyl)cyclopentyl]methyl]propan-2-amine
CID 62725403
4-(2-phenoxyethyl)oxane-4-carboxylic acid
CID 62907146
2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine
CID 62906628

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine (CID 62904851) is N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine is CCNCC1(CCOc2ccccc2)CCOCC1.
What is the InChIKey of N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine?
The InChIKey is BOUMFGDNQWHTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-17-14-16(8-11-18-12-9-16)10-13-19-15-6-4-3-5-7-15/h3-7,17H,2,8-14H2,1H3.
What are the key properties of N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine?
N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62904851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).