N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline

C15H16BrNO — CID 63214405

IUPACN-[2-(4-bromo-2-methylphenoxy)ethyl]aniline
SMILESCc1cc(Br)ccc1OCCNc1ccccc1
InChIInChI=1S/C15H16BrNO/c1-12-11-13(16)7-8-15(12)18-10-9-17-14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3
InChIKeyWYMWCHHRXQGUAY-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.25
Rot. Bonds5

About N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline

N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline (PubChem CID 63214405) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylphenoxy)ethyl]aniline
PubChem CID63214405
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-[2-(4-bromo-2-methylphenoxy)ethyl]aniline
SMILESCc1cc(Br)ccc1OCCNc1ccccc1
InChIInChI=1S/C15H16BrNO/c1-12-11-13(16)7-8-15(12)18-10-9-17-14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3
InChIKeyWYMWCHHRXQGUAY-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107286344
N-benzyl-2-(4-bromo-2-methylphenoxy)ethanamine
CID 2181552
N-[3-(2-bromo-4-methylphenoxy)propyl]aniline
CID 63516517
3-(4-bromo-2-methylphenoxy)-N-propan-2-ylpropan-1-amine
CID 63217089
4-bromo-1-(2-bromoethoxy)-2-methylbenzene
CID 63216698
2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline
CID 63216601
2-(4-bromo-2-methylphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 55162497
4-bromo-N-[2-(2,3,5-trimethylphenoxy)ethyl]aniline
CID 63516850
3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline
CID 62573032
4-bromo-N-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]aniline
CID 115402812
N-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 63517078
3-bromo-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 55093133

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline?
The IUPAC name of N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline (CID 63214405) is N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline.
What is the SMILES notation for N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline?
The canonical SMILES for N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline is Cc1cc(Br)ccc1OCCNc1ccccc1.
What is the InChIKey of N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline?
The InChIKey is WYMWCHHRXQGUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-12-11-13(16)7-8-15(12)18-10-9-17-14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline?
N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline has a molecular weight of 306.20 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 63214405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).