N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine

C14H21BrClNO — CID 115262572

IUPACN-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine
SMILESCOc1cc(C)c(Cl)c(C)c1C(C)(C)CNCBr
InChIInChI=1S/C14H21BrClNO/c1-9-6-11(18-5)12(10(2)13(9)16)14(3,4)7-17-8-15/h6,17H,7-8H2,1-5H3
InChIKeyRMEWFKTXMIWLQK-UHFFFAOYSA-N
MW334.69 g/mol
LogP4.19
Rot. Bonds5

About N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine

N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine (PubChem CID 115262572) has the molecular formula C14H21BrClNO and a molecular weight of 334.69 g/mol. Its IUPAC name is N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine
PubChem CID115262572
Molecular FormulaC14H21BrClNO
Molecular Weight334.69 g/mol
Exact Mass333.05
IUPAC NameN-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine
SMILESCOc1cc(C)c(Cl)c(C)c1C(C)(C)CNCBr
InChIInChI=1S/C14H21BrClNO/c1-9-6-11(18-5)12(10(2)13(9)16)14(3,4)7-17-8-15/h6,17H,7-8H2,1-5H3
InChIKeyRMEWFKTXMIWLQK-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 54.19
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-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540
N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 115262537
N-(bromomethyl)-2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-amine
CID 115262519
N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 115262577
N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 115262514
N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine
CID 115262574
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535
[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol
CID 115229682
N-(2-chloroethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115215294
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine
CID 116952629
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-amine
CID 115262570

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine?
The IUPAC name of N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine (CID 115262572) is N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine is COc1cc(C)c(Cl)c(C)c1C(C)(C)CNCBr.
What is the InChIKey of N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine?
The InChIKey is RMEWFKTXMIWLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClNO/c1-9-6-11(18-5)12(10(2)13(9)16)14(3,4)7-17-8-15/h6,17H,7-8H2,1-5H3.
What are the key properties of N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine?
N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine has a molecular weight of 334.69 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115262572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).