2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol

C16H18BrNO2 — CID 102847681

IUPAC2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol
SMILESCOCCc1ccccc1NCc1cccc(Br)c1O
InChIInChI=1S/C16H18BrNO2/c1-20-10-9-12-5-2-3-8-15(12)18-11-13-6-4-7-14(17)16(13)19/h2-8,18-19H,9-11H2,1H3
InChIKeyIGWUYZXKSWRMAP-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.96
Rot. Bonds6

About 2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol

2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol (PubChem CID 102847681) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol
PubChem CID102847681
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol
SMILESCOCCc1ccccc1NCc1cccc(Br)c1O
InChIInChI=1S/C16H18BrNO2/c1-20-10-9-12-5-2-3-8-15(12)18-11-13-6-4-7-14(17)16(13)19/h2-8,18-19H,9-11H2,1H3
InChIKeyIGWUYZXKSWRMAP-UHFFFAOYSA-N
XLogP3.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.96
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

2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 61390986
2-bromo-6-[[2-(ethoxymethyl)anilino]methyl]phenol
CID 61391843
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol
CID 61390242
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline
CID 102903881
2-bromo-6-[[4-(2-methoxyethoxy)anilino]methyl]phenol
CID 61391221
2-bromo-6-[(3-methoxypropylamino)methyl]phenol
CID 61390597
methyl 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2-methylbenzoate
CID 61390835
2-[(3-bromo-2-hydroxyphenyl)methylamino]benzonitrile
CID 61390093
2-bromo-6-[(3-iodo-2-methylanilino)methyl]phenol
CID 114256858
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol?
The IUPAC name of 2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol (CID 102847681) is 2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol is COCCc1ccccc1NCc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol?
The InChIKey is IGWUYZXKSWRMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-20-10-9-12-5-2-3-8-15(12)18-11-13-6-4-7-14(17)16(13)19/h2-8,18-19H,9-11H2,1H3.
What are the key properties of 2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol?
2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol has a molecular weight of 336.23 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol is sourced from PubChem (CID 102847681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).