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

C14H24N2O2 — CID 71237034

IUPAC1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1ccc(CN)cc1)CC(C)O
InChIInChI=1S/C14H24N2O2/c1-11(17)8-16(9-12(2)18)10-14-5-3-13(7-15)4-6-14/h3-6,11-12,17-18H,7-10,15H2,1-2H3
InChIKeyIKRDIASXLTTZQA-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.71
Rot. Bonds7

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

1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 71237034) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID71237034
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1ccc(CN)cc1)CC(C)O
InChIInChI=1S/C14H24N2O2/c1-11(17)8-16(9-12(2)18)10-14-5-3-13(7-15)4-6-14/h3-6,11-12,17-18H,7-10,15H2,1-2H3
InChIKeyIKRDIASXLTTZQA-UHFFFAOYSA-N
XLogP0.71
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 22600659
(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol
CID 26458234
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 2846001
(2R)-1-[(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 783240
4-[[bis(2-methylpropyl)amino]methyl]aniline
CID 23507481
2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol
CID 104551473
1-aminopropan-2-ol;1-[bis[(4-ethenylphenyl)methyl]amino]propan-2-ol;1-(chloromethyl)-4-ethenylbenzene
CID 158075036
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 60921311
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319
1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 43575790
1-[4-(aminomethyl)-2-[[bis(2-hydroxypropyl)amino]methyl]-3-(2-hydroxypropyl)phenyl]propan-2-ol
CID 101292464

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol (CID 71237034) is 1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol is CC(O)CN(Cc1ccc(CN)cc1)CC(C)O.
What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is IKRDIASXLTTZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(17)8-16(9-12(2)18)10-14-5-3-13(7-15)4-6-14/h3-6,11-12,17-18H,7-10,15H2,1-2H3.
What are the key properties of 1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol?
1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 71237034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).