N-(bromomethyl)-5-ethyl-2-methoxyaniline

C10H14BrNO — CID 115261556

IUPACN-(bromomethyl)-5-ethyl-2-methoxyaniline
SMILESCCc1ccc(OC)c(NCBr)c1
InChIInChI=1S/C10H14BrNO/c1-3-8-4-5-10(13-2)9(6-8)12-7-11/h4-6,12H,3,7H2,1-2H3
InChIKeyIERCDOOYEZXGMD-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.02
Rot. Bonds4

About N-(bromomethyl)-5-ethyl-2-methoxyaniline

N-(bromomethyl)-5-ethyl-2-methoxyaniline (PubChem CID 115261556) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is N-(bromomethyl)-5-ethyl-2-methoxyaniline.

Molecular Properties

Compound NameN-(bromomethyl)-5-ethyl-2-methoxyaniline
PubChem CID115261556
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC NameN-(bromomethyl)-5-ethyl-2-methoxyaniline
SMILESCCc1ccc(OC)c(NCBr)c1
InChIInChI=1S/C10H14BrNO/c1-3-8-4-5-10(13-2)9(6-8)12-7-11/h4-6,12H,3,7H2,1-2H3
InChIKeyIERCDOOYEZXGMD-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.02
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'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
CID 115226519
5-ethyl-2-methoxy-N-(2-methoxyethyl)aniline
CID 98783313
2-(5-ethyl-2-methoxyanilino)ethanethiol
CID 115223657
N-(2-chloroethyl)-5-ethyl-2-methoxyaniline
CID 115214591
3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 115135120
N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine
CID 115198252
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
5-(5-ethyl-2-methoxyanilino)pentanoic acid
CID 115218873
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
2-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)acetamide
CID 18383
2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine
CID 115124269

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-5-ethyl-2-methoxyaniline?
The IUPAC name of N-(bromomethyl)-5-ethyl-2-methoxyaniline (CID 115261556) is N-(bromomethyl)-5-ethyl-2-methoxyaniline.
What is the SMILES notation for N-(bromomethyl)-5-ethyl-2-methoxyaniline?
The canonical SMILES for N-(bromomethyl)-5-ethyl-2-methoxyaniline is CCc1ccc(OC)c(NCBr)c1.
What is the InChIKey of N-(bromomethyl)-5-ethyl-2-methoxyaniline?
The InChIKey is IERCDOOYEZXGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-3-8-4-5-10(13-2)9(6-8)12-7-11/h4-6,12H,3,7H2,1-2H3.
What are the key properties of N-(bromomethyl)-5-ethyl-2-methoxyaniline?
N-(bromomethyl)-5-ethyl-2-methoxyaniline has a molecular weight of 244.13 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-5-ethyl-2-methoxyaniline is sourced from PubChem (CID 115261556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).