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

C15H22BrNO2 — CID 114534147

IUPAC1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(Cc2cc(Br)ccc2OC)CCOC1C
InChIInChI=1S/C15H22BrNO2/c1-11-15(10-17-2,6-7-19-11)9-12-8-13(16)4-5-14(12)18-3/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyILWRAWJLBAFOLG-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.01
Rot. Bonds5

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

1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine (PubChem CID 114534147) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine
PubChem CID114534147
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(Cc2cc(Br)ccc2OC)CCOC1C
InChIInChI=1S/C15H22BrNO2/c1-11-15(10-17-2,6-7-19-11)9-12-8-13(16)4-5-14(12)18-3/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyILWRAWJLBAFOLG-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718338
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194895
N-[[3-[(2-bromo-5-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534710
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 63509042
[3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114533952
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol
CID 66023451
N-[[3-[(2-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534859
4-[(5-bromo-2-methoxyphenyl)methyl]oxane-4-carboxylic acid
CID 62906299
N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534573
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926328
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
CID 66026762
[3-[(4-bromo-2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114534026

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine (CID 114534147) is 1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine is CNCC1(Cc2cc(Br)ccc2OC)CCOC1C.
What is the InChIKey of 1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine?
The InChIKey is ILWRAWJLBAFOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-11-15(10-17-2,6-7-19-11)9-12-8-13(16)4-5-14(12)18-3/h4-5,8,11,17H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine?
1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine has a molecular weight of 328.25 g/mol, XLogP of 3.01, 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]-2-methyloxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114534147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).