N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine

C13H20BrNO — CID 115262514

IUPACN-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(C)cc1C(C)(C)CNCBr
InChIInChI=1S/C13H20BrNO/c1-10-5-6-12(16-4)11(7-10)13(2,3)8-15-9-14/h5-7,15H,8-9H2,1-4H3
InChIKeyGSDCLRYWHBSULX-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.22
Rot. Bonds5

About N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine

N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine (PubChem CID 115262514) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
PubChem CID115262514
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(C)cc1C(C)(C)CNCBr
InChIInChI=1S/C13H20BrNO/c1-10-5-6-12(16-4)11(7-10)13(2,3)8-15-9-14/h5-7,15H,8-9H2,1-4H3
InChIKeyGSDCLRYWHBSULX-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-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-(bromomethyl)-2-(2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262506
3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propane-1-thiol
CID 115225320
N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 115262577
1-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199715
1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol
CID 115121813
N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540
1-amino-3-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]urea
CID 115193138
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-amine
CID 115262570
N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine
CID 115262574
N-(bromomethyl)-2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-amine
CID 115262519
2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide
CID 115173415
2-(2-methoxy-5-methylphenyl)-N-methylpropan-2-amine
CID 82281676

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine (CID 115262514) is N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine is COc1ccc(C)cc1C(C)(C)CNCBr.
What is the InChIKey of N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is GSDCLRYWHBSULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-10-5-6-12(16-4)11(7-10)13(2,3)8-15-9-14/h5-7,15H,8-9H2,1-4H3.
What are the key properties of N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine?
N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115262514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).