4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol

C14H22BrNO — CID 82982203

IUPAC4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol
SMILESCC(N(C)Cc1cc(O)ccc1Br)C(C)(C)C
InChIInChI=1S/C14H22BrNO/c1-10(14(2,3)4)16(5)9-11-8-12(17)6-7-13(11)15/h6-8,10,17H,9H2,1-5H3
InChIKeyGMTQEDLDUQHJGR-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.02
Rot. Bonds3

About 4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol

4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol (PubChem CID 82982203) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol
PubChem CID82982203
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol
SMILESCC(N(C)Cc1cc(O)ccc1Br)C(C)(C)C
InChIInChI=1S/C14H22BrNO/c1-10(14(2,3)4)16(5)9-11-8-12(17)6-7-13(11)15/h6-8,10,17H,9H2,1-5H3
InChIKeyGMTQEDLDUQHJGR-UHFFFAOYSA-N
XLogP4.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]aniline
CID 113281322
4-bromo-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol
CID 82981508
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol
CID 82981814
3-[[bis(3-methylbutyl)amino]methyl]-4-bromophenol
CID 107871875
4-bromo-3-(2-hydroxypropyl)phenol
CID 117333494
4-bromo-3-[[propan-2-yl(propyl)amino]methyl]phenol
CID 82977711
N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide
CID 75471098
4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981104
4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol
CID 83732596
4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol
CID 82983837
4-bromo-3-[(4-ethyl-N-methylanilino)methyl]phenol
CID 82978315
4-bromo-3-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978304

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol?
The IUPAC name of 4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol (CID 82982203) is 4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol.
What is the SMILES notation for 4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol?
The canonical SMILES for 4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol is CC(N(C)Cc1cc(O)ccc1Br)C(C)(C)C.
What is the InChIKey of 4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol?
The InChIKey is GMTQEDLDUQHJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-10(14(2,3)4)16(5)9-11-8-12(17)6-7-13(11)15/h6-8,10,17H,9H2,1-5H3.
What are the key properties of 4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol?
4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol has a molecular weight of 300.24 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol is sourced from PubChem (CID 82982203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).