3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol

C14H15BrN2O — CID 107733829

IUPAC3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol
SMILESCN(Cc1ccc(Br)c(N)c1)c1cccc(O)c1
InChIInChI=1S/C14H15BrN2O/c1-17(11-3-2-4-12(18)8-11)9-10-5-6-13(15)14(16)7-10/h2-8,18H,9,16H2,1H3
InChIKeyYFMSFRMTKLIDCR-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.37
Rot. Bonds3

About 3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol

3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol (PubChem CID 107733829) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol.

Molecular Properties

Compound Name3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol
PubChem CID107733829
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol
SMILESCN(Cc1ccc(Br)c(N)c1)c1cccc(O)c1
InChIInChI=1S/C14H15BrN2O/c1-17(11-3-2-4-12(18)8-11)9-10-5-6-13(15)14(16)7-10/h2-8,18H,9,16H2,1H3
InChIKeyYFMSFRMTKLIDCR-UHFFFAOYSA-N
XLogP3.37
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3-amino-4-bromophenyl)methyl-methylamino]benzonitrile
CID 115557175
3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol
CID 107733874
4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid
CID 107736702
4-[(N-methylanilino)methyl]benzene-1,2-diamine
CID 82183980
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline
CID 115213189
2-bromo-5-[[(4-fluorophenyl)methyl-methylamino]methyl]aniline
CID 115557025
2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline
CID 115557065
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61416275
4-bromo-3-[(4-ethyl-N-methylanilino)methyl]phenol
CID 82978315
2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid
CID 107736699
3-[(3-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 62971074

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol?
The IUPAC name of 3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol (CID 107733829) is 3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol.
What is the SMILES notation for 3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol?
The canonical SMILES for 3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol is CN(Cc1ccc(Br)c(N)c1)c1cccc(O)c1.
What is the InChIKey of 3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol?
The InChIKey is YFMSFRMTKLIDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-17(11-3-2-4-12(18)8-11)9-10-5-6-13(15)14(16)7-10/h2-8,18H,9,16H2,1H3.
What are the key properties of 3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol?
3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol has a molecular weight of 307.19 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol is sourced from PubChem (CID 107733829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).