N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine

C15H22BrNO3 — CID 103897497

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine
SMILESCOc1cc(Br)c(CNC2(C)CCCOC2)cc1OC
InChIInChI=1S/C15H22BrNO3/c1-15(5-4-6-20-10-15)17-9-11-7-13(18-2)14(19-3)8-12(11)16/h7-8,17H,4-6,9-10H2,1-3H3
InChIKeyRHSCXPUUGPGJEV-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.12
Rot. Bonds5

About N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine (PubChem CID 103897497) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine
PubChem CID103897497
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine
SMILESCOc1cc(Br)c(CNC2(C)CCCOC2)cc1OC
InChIInChI=1S/C15H22BrNO3/c1-15(5-4-6-20-10-15)17-9-11-7-13(18-2)14(19-3)8-12(11)16/h7-8,17H,4-6,9-10H2,1-3H3
InChIKeyRHSCXPUUGPGJEV-UHFFFAOYSA-N
XLogP3.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine 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

N-[[4-(2,2-difluoroethoxy)-3,5-dimethoxyphenyl]methyl]-3-methyloxan-3-amine
CID 166208826
N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
CID 115768698
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-3-methyloxolan-3-amine
CID 115768773
(3S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 98485911
N-[(5-bromo-3-pyridinyl)methyl]-3-methyloxan-3-amine
CID 104857038
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 55188586
N-[(5-bromo-2-nitrophenyl)methyl]-3-methyloxan-3-amine
CID 103933774
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methyloxan-3-amine
CID 113354519
N-[(2-amino-3-fluorophenyl)methyl]-3-methyloxan-3-amine
CID 114113972
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methyloxan-3-amine
CID 103897407
N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine
CID 103527612
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365576

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine (CID 103897497) is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine is COc1cc(Br)c(CNC2(C)CCCOC2)cc1OC.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine?
The InChIKey is RHSCXPUUGPGJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-15(5-4-6-20-10-15)17-9-11-7-13(18-2)14(19-3)8-12(11)16/h7-8,17H,4-6,9-10H2,1-3H3.
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine?
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine has a molecular weight of 344.25 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine is sourced from PubChem (CID 103897497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).