N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine

C16H24BrNO2 — CID 62454415

IUPACN-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(COc2ccc(Br)cc2)O1
InChIInChI=1S/C16H24BrNO2/c1-12(2)9-18-10-15-7-8-16(20-15)11-19-14-5-3-13(17)4-6-14/h3-6,12,15-16,18H,7-11H2,1-2H3
InChIKeyVHHSXDLAIIVNSF-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.62
Rot. Bonds7

About N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62454415) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62454415
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(COc2ccc(Br)cc2)O1
InChIInChI=1S/C16H24BrNO2/c1-12(2)9-18-10-15-7-8-16(20-15)11-19-14-5-3-13(17)4-6-14/h3-6,12,15-16,18H,7-11H2,1-2H3
InChIKeyVHHSXDLAIIVNSF-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62449780
N-[[5-[(2,4-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453470
N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453326
2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62458043
N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 66321864
N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62486552
4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83150672
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 65201205
2-methyl-N-[[5-[(5-methyloxolan-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103133309
N-methyl-N-[2-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methoxy]ethyl]cyclopropanamine
CID 102740783
2-[2-(4-bromophenoxy)ethyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522937

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine (CID 62454415) is N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC(COc2ccc(Br)cc2)O1.
What is the InChIKey of N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VHHSXDLAIIVNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-12(2)9-18-10-15-7-8-16(20-15)11-19-14-5-3-13(17)4-6-14/h3-6,12,15-16,18H,7-11H2,1-2H3.
What are the key properties of N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62454415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).