N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine

C17H27NO2 — CID 62459432

IUPACN-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(COc2ccccc2C(C)C)O1
InChIInChI=1S/C17H27NO2/c1-4-18-11-14-9-10-15(20-14)12-19-17-8-6-5-7-16(17)13(2)3/h5-8,13-15,18H,4,9-12H2,1-3H3
InChIKeyBUHAGKDZIQAEAH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.35
Rot. Bonds7

About N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine

N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine (PubChem CID 62459432) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine
PubChem CID62459432
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(COc2ccccc2C(C)C)O1
InChIInChI=1S/C17H27NO2/c1-4-18-11-14-9-10-15(20-14)12-19-17-8-6-5-7-16(17)13(2)3/h5-8,13-15,18H,4,9-12H2,1-3H3
InChIKeyBUHAGKDZIQAEAH-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine
CID 62452190
N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62458867
N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62486972
N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453326
N-ethyl-5-(2-propan-2-ylphenoxy)pentan-1-amine
CID 55077101
N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 62457821
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103132816
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
4-propan-2-yl-2-[(2-propan-2-ylphenoxy)methyl]morpholine
CID 64763487
N-[[4-[(2-propan-2-ylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62459431
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline
CID 55072223
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 23044383

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine (CID 62459432) is N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(COc2ccccc2C(C)C)O1.
What is the InChIKey of N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine?
The InChIKey is BUHAGKDZIQAEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18-11-14-9-10-15(20-14)12-19-17-8-6-5-7-16(17)13(2)3/h5-8,13-15,18H,4,9-12H2,1-3H3.
What are the key properties of N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine?
N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62459432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).