N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline

C11H16BrNO — CID 115261714

IUPACN-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline
SMILESCCc1ccc(OC)c(N(C)CBr)c1
InChIInChI=1S/C11H16BrNO/c1-4-9-5-6-11(14-3)10(7-9)13(2)8-12/h5-7H,4,8H2,1-3H3
InChIKeyFPXDWEYKWKPSHT-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.05
Rot. Bonds4

About N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline

N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline (PubChem CID 115261714) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline
PubChem CID115261714
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC NameN-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline
SMILESCCc1ccc(OC)c(N(C)CBr)c1
InChIInChI=1S/C11H16BrNO/c1-4-9-5-6-11(14-3)10(7-9)13(2)8-12/h5-7H,4,8H2,1-3H3
InChIKeyFPXDWEYKWKPSHT-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.05
H-Bond Donors ≤ 50
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'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 115226672
3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid
CID 115241577
[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243357
2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127869
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
5-ethyl-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208156
3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133960
5-ethyl-2-methoxybenzoic acid
CID 20721149
1-(aminomethyl)-N-(5-ethyl-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182612
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
N-(bromomethyl)-5-ethyl-2-methoxyaniline
CID 115261556

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline?
The IUPAC name of N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline (CID 115261714) is N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline.
What is the SMILES notation for N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline?
The canonical SMILES for N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline is CCc1ccc(OC)c(N(C)CBr)c1.
What is the InChIKey of N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline?
The InChIKey is FPXDWEYKWKPSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-4-9-5-6-11(14-3)10(7-9)13(2)8-12/h5-7H,4,8H2,1-3H3.
What are the key properties of N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline?
N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline has a molecular weight of 258.16 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline is sourced from PubChem (CID 115261714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).