1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

C14H19BrClNO2 — CID 81329814

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(c1cc(Cl)cc(Br)c1OC)C1CCC(C)O1
InChIInChI=1S/C14H19BrClNO2/c1-8-4-5-12(19-8)13(17-2)10-6-9(16)7-11(15)14(10)18-3/h6-8,12-13,17H,4-5H2,1-3H3
InChIKeyUIOIMBXZZASUTO-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.94
Rot. Bonds4

About 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (PubChem CID 81329814) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
PubChem CID81329814
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(c1cc(Cl)cc(Br)c1OC)C1CCC(C)O1
InChIInChI=1S/C14H19BrClNO2/c1-8-4-5-12(19-8)13(17-2)10-6-9(16)7-11(15)14(10)18-3/h6-8,12-13,17H,4-5H2,1-3H3
InChIKeyUIOIMBXZZASUTO-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine 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-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286
1-(4-bromo-2,5-difluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81331183
N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine
CID 43494075
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330123
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330124
(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
CID 61100157
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181484
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763146
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 104541691
[(2,5-dichlorophenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105302085
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 102763790

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (CID 81329814) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is CNC(c1cc(Cl)cc(Br)c1OC)C1CCC(C)O1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The InChIKey is UIOIMBXZZASUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-8-4-5-12(19-8)13(17-2)10-6-9(16)7-11(15)14(10)18-3/h6-8,12-13,17H,4-5H2,1-3H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine has a molecular weight of 348.67 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 81329814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).