2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol

C16H18BrNO — CID 61390242

IUPAC2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol
SMILESCC(C)c1ccccc1NCc1cccc(Br)c1O
InChIInChI=1S/C16H18BrNO/c1-11(2)13-7-3-4-9-15(13)18-10-12-6-5-8-14(17)16(12)19/h3-9,11,18-19H,10H2,1-2H3
InChIKeyXAZAVYIARMQGTG-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.89
Rot. Bonds4

About 2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol

2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol (PubChem CID 61390242) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol
PubChem CID61390242
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol
SMILESCC(C)c1ccccc1NCc1cccc(Br)c1O
InChIInChI=1S/C16H18BrNO/c1-11(2)13-7-3-4-9-15(13)18-10-12-6-5-8-14(17)16(12)19/h3-9,11,18-19H,10H2,1-2H3
InChIKeyXAZAVYIARMQGTG-UHFFFAOYSA-N
XLogP4.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 102847681
2-bromo-6-[[2-(trifluoromethylsulfanyl)anilino]methyl]phenol
CID 61390902
N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline
CID 65030272
2-[(3-bromo-2-hydroxyphenyl)methylamino]benzonitrile
CID 61390093
2-bromo-6-[(3-iodo-2-methylanilino)methyl]phenol
CID 114256858
2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol
CID 104599949
3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 61391803
2-bromo-6-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81397811
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-propan-2-ylaniline
CID 43393522
2-bromo-6-propan-2-ylphenol
CID 14663965

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol?
The IUPAC name of 2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol (CID 61390242) is 2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol?
The canonical SMILES for 2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol is CC(C)c1ccccc1NCc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol?
The InChIKey is XAZAVYIARMQGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11(2)13-7-3-4-9-15(13)18-10-12-6-5-8-14(17)16(12)19/h3-9,11,18-19H,10H2,1-2H3.
What are the key properties of 2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol?
2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol has a molecular weight of 320.23 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol is sourced from PubChem (CID 61390242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).