1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine

C14H20BrNO2 — CID 62718338

IUPAC1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(Cc2cc(Br)ccc2OC)CCOC1
InChIInChI=1S/C14H20BrNO2/c1-16-9-14(5-6-18-10-14)8-11-7-12(15)3-4-13(11)17-2/h3-4,7,16H,5-6,8-10H2,1-2H3
InChIKeyRUOHGVQPHGTLQM-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.63
Rot. Bonds5

About 1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine

1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine (PubChem CID 62718338) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
PubChem CID62718338
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(Cc2cc(Br)ccc2OC)CCOC1
InChIInChI=1S/C14H20BrNO2/c1-16-9-14(5-6-18-10-14)8-11-7-12(15)3-4-13(11)17-2/h3-4,7,16H,5-6,8-10H2,1-2H3
InChIKeyRUOHGVQPHGTLQM-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(5-chloro-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 55111253
1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine
CID 114534147
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol
CID 66023451
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
CID 66026762
[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol
CID 66059005
4-[(5-bromo-2-methoxyphenyl)methyl]oxane-4-carboxylic acid
CID 62906299
N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718189
5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246032
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194895
3-[(5-bromo-2-methoxyphenyl)methyl]oxane-3-carboxylic acid
CID 63014707
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 63509042
3-[(5-bromo-2-methoxyphenyl)methyl]oxetane-3-carbonitrile
CID 116929943

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine (CID 62718338) is 1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine is CNCC1(Cc2cc(Br)ccc2OC)CCOC1.
What is the InChIKey of 1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine?
The InChIKey is RUOHGVQPHGTLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-16-9-14(5-6-18-10-14)8-11-7-12(15)3-4-13(11)17-2/h3-4,7,16H,5-6,8-10H2,1-2H3.
What are the key properties of 1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine?
1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine has a molecular weight of 314.22 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62718338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).