N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine

C17H26BrNO2 — CID 63216594

IUPACN-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Br)ccc1OCC1CCC(CNC(C)(C)C)O1
InChIInChI=1S/C17H26BrNO2/c1-12-9-13(18)5-8-16(12)20-11-15-7-6-14(21-15)10-19-17(2,3)4/h5,8-9,14-15,19H,6-7,10-11H2,1-4H3
InChIKeyXHTDFLRNRRVBAD-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.07
Rot. Bonds5

About N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63216594) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID63216594
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC NameN-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Br)ccc1OCC1CCC(CNC(C)(C)C)O1
InChIInChI=1S/C17H26BrNO2/c1-12-9-13(18)5-8-16(12)20-11-15-7-6-14(21-15)10-19-17(2,3)4/h5,8-9,14-15,19H,6-7,10-11H2,1-4H3
InChIKeyXHTDFLRNRRVBAD-UHFFFAOYSA-N
XLogP4.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]-N-methylmethanamine
CID 63216507
N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62454144
N-[[5-[(2-bromo-4-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62460702
N-[[5-[(2,4-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453470
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
N-[[5-bromo-2-(oxan-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058191
N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 66324414
N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline
CID 63214405
N-[[5-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 103132827
N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62460585
N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 55077944
tert-butyl 4-[(4-bromo-2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 118053135

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine (CID 63216594) is N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine is Cc1cc(Br)ccc1OCC1CCC(CNC(C)(C)C)O1.
What is the InChIKey of N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is XHTDFLRNRRVBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-12-9-13(18)5-8-16(12)20-11-15-7-6-14(21-15)10-19-17(2,3)4/h5,8-9,14-15,19H,6-7,10-11H2,1-4H3.
What are the key properties of N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 356.30 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63216594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).