2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol

C12H19BrN2O2 — CID 114889791

IUPAC2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol
SMILESCOCCN(CCO)c1ccc(Br)cc1CN
InChIInChI=1S/C12H19BrN2O2/c1-17-7-5-15(4-6-16)12-3-2-11(13)8-10(12)9-14/h2-3,8,16H,4-7,9,14H2,1H3
InChIKeyQLCUNSHQARBZBR-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.35
Rot. Bonds7

About 2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol

2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol (PubChem CID 114889791) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol
PubChem CID114889791
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol
SMILESCOCCN(CCO)c1ccc(Br)cc1CN
InChIInChI=1S/C12H19BrN2O2/c1-17-7-5-15(4-6-16)12-3-2-11(13)8-10(12)9-14/h2-3,8,16H,4-7,9,14H2,1H3
InChIKeyQLCUNSHQARBZBR-UHFFFAOYSA-N
XLogP1.35
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446
2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol
CID 113467895
2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline
CID 62493985
2-[4-bromo-N-(2-methoxyethyl)-2-nitroanilino]ethanol
CID 115672573
2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005537
2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62493136
2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol
CID 106949605
2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 114889558
2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786690
1-[3-bromo-4-[2-hydroxyethyl(2-methoxyethyl)amino]phenyl]ethanol
CID 113467856
3-fluoro-4-[2-hydroxyethyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 113467773
2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol
CID 60961571

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol (CID 114889791) is 2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol is COCCN(CCO)c1ccc(Br)cc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol?
The InChIKey is QLCUNSHQARBZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-17-7-5-15(4-6-16)12-3-2-11(13)8-10(12)9-14/h2-3,8,16H,4-7,9,14H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol?
2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol has a molecular weight of 303.20 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol is sourced from PubChem (CID 114889791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).