2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol

C12H20N2O — CID 104551473

IUPAC2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1ccc(CN)cc1
InChIInChI=1S/C12H20N2O/c1-10(9-15)14(2)8-12-5-3-11(7-13)4-6-12/h3-6,10,15H,7-9,13H2,1-2H3
InChIKeyOWTRYSOJOFQVEV-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.96
Rot. Bonds5

About 2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol

2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol (PubChem CID 104551473) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol
PubChem CID104551473
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1ccc(CN)cc1
InChIInChI=1S/C12H20N2O/c1-10(9-15)14(2)8-12-5-3-11(7-13)4-6-12/h3-6,10,15H,7-9,13H2,1-2H3
InChIKeyOWTRYSOJOFQVEV-UHFFFAOYSA-N
XLogP0.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-iodophenyl)methyl-methylamino]propan-1-ol
CID 115877332
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 61453087
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol
CID 113425969
2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 104554394
4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol
CID 104556834
1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 71237034
[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol
CID 112631174
[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol
CID 112631162
N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179
2-N-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine;hydrochloride
CID 119924728
2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039966

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol (CID 104551473) is 2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol is CC(CO)N(C)Cc1ccc(CN)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol?
The InChIKey is OWTRYSOJOFQVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(9-15)14(2)8-12-5-3-11(7-13)4-6-12/h3-6,10,15H,7-9,13H2,1-2H3.
What are the key properties of 2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol?
2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol is sourced from PubChem (CID 104551473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).