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

C14H24N2O2 — CID 101292384

IUPAC1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
SMILESCC(O)CNCc1ccc(CC(C)O)c(CN)c1
InChIInChI=1S/C14H24N2O2/c1-10(17)5-13-4-3-12(6-14(13)7-15)9-16-8-11(2)18/h3-4,6,10-11,16-18H,5,7-9,15H2,1-2H3
InChIKeyCUIUZHIOOQJYCN-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.54
Rot. Bonds7

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

1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol (PubChem CID 101292384) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
PubChem CID101292384
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
SMILESCC(O)CNCc1ccc(CC(C)O)c(CN)c1
InChIInChI=1S/C14H24N2O2/c1-10(17)5-13-4-3-12(6-14(13)7-15)9-16-8-11(2)18/h3-4,6,10-11,16-18H,5,7-9,15H2,1-2H3
InChIKeyCUIUZHIOOQJYCN-UHFFFAOYSA-N
XLogP0.54
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(aminomethyl)-2-(2-hydroxypropyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
CID 101292407
1-[3-(aminomethyl)-5-(2-hydroxypropyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
CID 101292408
1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
CID 101292459
1-[2-(aminomethyl)-3-(2-hydroxypropyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
CID 101292420
1-[3-(aminomethyl)-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
CID 101292378
1-[(3,4-dimethylphenyl)methylamino]propan-2-ol
CID 43220826
1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17293833
(2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol
CID 95932159
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
(2S)-1-(benzylamino)propan-2-ol
CID 964914
(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol
CID 39244971

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol (CID 101292384) is 1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol is CC(O)CNCc1ccc(CC(C)O)c(CN)c1.
What is the InChIKey of 1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol?
The InChIKey is CUIUZHIOOQJYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(17)5-13-4-3-12(6-14(13)7-15)9-16-8-11(2)18/h3-4,6,10-11,16-18H,5,7-9,15H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol?
1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol is sourced from PubChem (CID 101292384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).