N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine

C14H22BrNO — CID 115262540

IUPACN-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
SMILESCOc1cc(C)c(C(C)(C)CNCBr)cc1C
InChIInChI=1S/C14H22BrNO/c1-10-7-13(17-5)11(2)6-12(10)14(3,4)8-16-9-15/h6-7,16H,8-9H2,1-5H3
InChIKeyBRFYWWMQMPAAMC-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.53
Rot. Bonds5

About N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine

N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine (PubChem CID 115262540) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
PubChem CID115262540
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
SMILESCOc1cc(C)c(C(C)(C)CNCBr)cc1C
InChIInChI=1S/C14H22BrNO/c1-10-7-13(17-5)11(2)6-12(10)14(3,4)8-16-9-15/h6-7,16H,8-9H2,1-5H3
InChIKeyBRFYWWMQMPAAMC-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.53
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'}

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Related Compounds

N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine
CID 115262574
N-(2-chloroethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115215294
N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197567
N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 115262514
N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine
CID 115262572
N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 115262577
N-(bromomethyl)-2-(2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262506
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
N-(bromomethyl)-2-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine
CID 115262635
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-amine
CID 115262570
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 94978960
N-(bromomethyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115262622

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine?
The IUPAC name of N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine (CID 115262540) is N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine is COc1cc(C)c(C(C)(C)CNCBr)cc1C.
What is the InChIKey of N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine?
The InChIKey is BRFYWWMQMPAAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-10-7-13(17-5)11(2)6-12(10)14(3,4)8-16-9-15/h6-7,16H,8-9H2,1-5H3.
What are the key properties of N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine?
N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115262540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).