2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol

C15H16BrClN2O — CID 63045727

IUPAC2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol
SMILESCN(C)c1c(Cl)cccc1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C15H16BrClN2O/c1-19(2)15-12(17)4-3-5-13(15)18-9-10-6-7-14(20)11(16)8-10/h3-8,18,20H,9H2,1-2H3
InChIKeyOIEVSLHEZDUXMU-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.49
Rot. Bonds4

About 2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol

2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol (PubChem CID 63045727) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol
PubChem CID63045727
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol
SMILESCN(C)c1c(Cl)cccc1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C15H16BrClN2O/c1-19(2)15-12(17)4-3-5-13(15)18-9-10-6-7-14(20)11(16)8-10/h3-8,18,20H,9H2,1-2H3
InChIKeyOIEVSLHEZDUXMU-UHFFFAOYSA-N
XLogP4.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 43739721
3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 65021658
3-chloro-2-N,2-N-dimethyl-1-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 43739761
2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol
CID 79150636
3-chloro-1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43739717
1-N-[(3-bromothiophen-2-yl)methyl]-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115380101
5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol
CID 83232776
3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 43739755
3-chloro-2-N,2-N-dimethyl-1-N-[(4-nitrophenyl)methyl]benzene-1,2-diamine
CID 43739674
2,3-dichloro-N-[(3,4-dibromophenyl)methyl]aniline
CID 113483253
4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol
CID 107678911
2-bromo-4-[(3-chloro-4-hydroxyanilino)methyl]phenol
CID 107677992

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol (CID 63045727) is 2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol is CN(C)c1c(Cl)cccc1NCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol?
The InChIKey is OIEVSLHEZDUXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-19(2)15-12(17)4-3-5-13(15)18-9-10-6-7-14(20)11(16)8-10/h3-8,18,20H,9H2,1-2H3.
What are the key properties of 2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol?
2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol has a molecular weight of 355.66 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol is sourced from PubChem (CID 63045727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).