4-[1-(2-bromo-4-methylanilino)ethyl]phenol

C15H16BrNO — CID 43191244

IUPAC4-[1-(2-bromo-4-methylanilino)ethyl]phenol
SMILESCc1ccc(NC(C)c2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C15H16BrNO/c1-10-3-8-15(14(16)9-10)17-11(2)12-4-6-13(18)7-5-12/h3-9,11,17-18H,1-2H3
InChIKeyMBMFRYHMQPUVCC-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.64
Rot. Bonds3

About 4-[1-(2-bromo-4-methylanilino)ethyl]phenol

4-[1-(2-bromo-4-methylanilino)ethyl]phenol (PubChem CID 43191244) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-[1-(2-bromo-4-methylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(2-bromo-4-methylanilino)ethyl]phenol
PubChem CID43191244
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name4-[1-(2-bromo-4-methylanilino)ethyl]phenol
SMILESCc1ccc(NC(C)c2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C15H16BrNO/c1-10-3-8-15(14(16)9-10)17-11(2)12-4-6-13(18)7-5-12/h3-9,11,17-18H,1-2H3
InChIKeyMBMFRYHMQPUVCC-UHFFFAOYSA-N
XLogP4.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(2-bromo-4-methylanilino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(2-bromo-4-methylanilino)ethyl]benzene-1,3-diol
CID 107704870
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline
CID 43757717
4-[1-(2-chloro-5-methylanilino)ethyl]phenol
CID 107631148
3-bromo-4-[1-(4-methylphenyl)ethylamino]benzenecarbothioamide
CID 82804341
methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate
CID 43679229
2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline
CID 43100834
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline
CID 43099892
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030
4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
CID 43347292
2-bromo-4-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]aniline
CID 43094181
2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol
CID 63066349

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-bromo-4-methylanilino)ethyl]phenol?
The IUPAC name of 4-[1-(2-bromo-4-methylanilino)ethyl]phenol (CID 43191244) is 4-[1-(2-bromo-4-methylanilino)ethyl]phenol.
What is the SMILES notation for 4-[1-(2-bromo-4-methylanilino)ethyl]phenol?
The canonical SMILES for 4-[1-(2-bromo-4-methylanilino)ethyl]phenol is Cc1ccc(NC(C)c2ccc(O)cc2)c(Br)c1.
What is the InChIKey of 4-[1-(2-bromo-4-methylanilino)ethyl]phenol?
The InChIKey is MBMFRYHMQPUVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-3-8-15(14(16)9-10)17-11(2)12-4-6-13(18)7-5-12/h3-9,11,17-18H,1-2H3.
What are the key properties of 4-[1-(2-bromo-4-methylanilino)ethyl]phenol?
4-[1-(2-bromo-4-methylanilino)ethyl]phenol has a molecular weight of 306.20 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bromo-4-methylanilino)ethyl]phenol is sourced from PubChem (CID 43191244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).