2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol

C16H18BrNO2 — CID 60942739

IUPAC2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol
SMILESCOc1cc(Br)cc(C)c1NC(C)c1ccccc1O
InChIInChI=1S/C16H18BrNO2/c1-10-8-12(17)9-15(20-3)16(10)18-11(2)13-6-4-5-7-14(13)19/h4-9,11,18-19H,1-3H3
InChIKeyOOMNNPVAQDFBIT-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.64
Rot. Bonds4

About 2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol

2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol (PubChem CID 60942739) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol
PubChem CID60942739
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol
SMILESCOc1cc(Br)cc(C)c1NC(C)c1ccccc1O
InChIInChI=1S/C16H18BrNO2/c1-10-8-12(17)9-15(20-3)16(10)18-11(2)13-6-4-5-7-14(13)19/h4-9,11,18-19H,1-3H3
InChIKeyOOMNNPVAQDFBIT-UHFFFAOYSA-N
XLogP4.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 63449951
4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 63450033
2-[1-(4-bromo-2,6-dimethylanilino)ethyl]benzene-1,4-diol
CID 60946215
4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline
CID 54864197
4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline
CID 114228199
4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline
CID 63449990
2-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597669
4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline
CID 63448717
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline
CID 63752631
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
CID 43729543
2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol
CID 43105239
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
CID 61147133

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol?
The IUPAC name of 2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol (CID 60942739) is 2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol.
What is the SMILES notation for 2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol?
The canonical SMILES for 2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol is COc1cc(Br)cc(C)c1NC(C)c1ccccc1O.
What is the InChIKey of 2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol?
The InChIKey is OOMNNPVAQDFBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-10-8-12(17)9-15(20-3)16(10)18-11(2)13-6-4-5-7-14(13)19/h4-9,11,18-19H,1-3H3.
What are the key properties of 2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol?
2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol has a molecular weight of 336.23 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol is sourced from PubChem (CID 60942739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).