1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol

C17H21BrN2O — CID 61416373

IUPAC1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol
SMILESCN(Cc1ccccc1Br)CC(O)c1ccc(CN)cc1
InChIInChI=1S/C17H21BrN2O/c1-20(11-15-4-2-3-5-16(15)18)12-17(21)14-8-6-13(10-19)7-9-14/h2-9,17,21H,10-12,19H2,1H3
InChIKeyGKTUFDOTXNOVOZ-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.07
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol

1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol (PubChem CID 61416373) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol
PubChem CID61416373
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol
SMILESCN(Cc1ccccc1Br)CC(O)c1ccc(CN)cc1
InChIInChI=1S/C17H21BrN2O/c1-20(11-15-4-2-3-5-16(15)18)12-17(21)14-8-6-13(10-19)7-9-14/h2-9,17,21H,10-12,19H2,1H3
InChIKeyGKTUFDOTXNOVOZ-UHFFFAOYSA-N
XLogP3.07
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416139
1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 43575790
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 61416417
1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
CID 61416488
N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 61420149
3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901849
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61420053
1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol
CID 61416140
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
1-(4-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylmethanamine
CID 60646410
1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62633676

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol (CID 61416373) is 1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol is CN(Cc1ccccc1Br)CC(O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol?
The InChIKey is GKTUFDOTXNOVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-20(11-15-4-2-3-5-16(15)18)12-17(21)14-8-6-13(10-19)7-9-14/h2-9,17,21H,10-12,19H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol?
1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol has a molecular weight of 349.27 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 61416373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).