N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine

C14H22BrNO2 — CID 115262577

IUPACN-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(C(C)(C)CNCBr)c(OC)c1C
InChIInChI=1S/C14H22BrNO2/c1-10-12(17-4)7-6-11(13(10)18-5)14(2,3)8-16-9-15/h6-7,16H,8-9H2,1-5H3
InChIKeyJOBFPNPUAWJGKW-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.23
Rot. Bonds6

About N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine

N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine (PubChem CID 115262577) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine
PubChem CID115262577
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC NameN-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(C(C)(C)CNCBr)c(OC)c1C
InChIInChI=1S/C14H22BrNO2/c1-10-12(17-4)7-6-11(13(10)18-5)14(2,3)8-16-9-15/h6-7,16H,8-9H2,1-5H3
InChIKeyJOBFPNPUAWJGKW-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259192
N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 115262514
N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine
CID 115261451
N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-amine
CID 115262570
N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide
CID 115166846
N-(bromomethyl)-2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-amine
CID 115262519
N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine
CID 115262574
N-(bromomethyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115262622
N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine
CID 115262572
1-(4-bromo-2-methylbutan-2-yl)-2,3,4-trimethoxybenzene
CID 79837541
N-(bromomethyl)-2-(2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262506

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine (CID 115262577) is N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine is COc1ccc(C(C)(C)CNCBr)c(OC)c1C.
What is the InChIKey of N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is JOBFPNPUAWJGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-10-12(17-4)7-6-11(13(10)18-5)14(2,3)8-16-9-15/h6-7,16H,8-9H2,1-5H3.
What are the key properties of N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine?
N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 316.24 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115262577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).