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

C13H22N2O — CID 65278136

IUPAC1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol
SMILESCCN(Cc1ccccc1CN)CC(C)O
InChIInChI=1S/C13H22N2O/c1-3-15(9-11(2)16)10-13-7-5-4-6-12(13)8-14/h4-7,11,16H,3,8-10,14H2,1-2H3
InChIKeySXJMAVJFFCFKNH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.35
Rot. Bonds6

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

1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol (PubChem CID 65278136) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol
PubChem CID65278136
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol
SMILESCCN(Cc1ccccc1CN)CC(C)O
InChIInChI=1S/C13H22N2O/c1-3-15(9-11(2)16)10-13-7-5-4-6-12(13)8-14/h4-7,11,16H,3,8-10,14H2,1-2H3
InChIKeySXJMAVJFFCFKNH-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
CID 43272646
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928
(2R)-1-[(2-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 756925
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine
CID 175214401
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105402834
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
1-[4-(aminomethyl)-2-[[bis(2-hydroxypropyl)amino]methyl]-3-(2-hydroxypropyl)phenyl]propan-2-ol
CID 101292464
N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine
CID 60922084
(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 30982171

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol?
The IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol (CID 65278136) is 1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol?
The canonical SMILES for 1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol is CCN(Cc1ccccc1CN)CC(C)O.
What is the InChIKey of 1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol?
The InChIKey is SXJMAVJFFCFKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-15(9-11(2)16)10-13-7-5-4-6-12(13)8-14/h4-7,11,16H,3,8-10,14H2,1-2H3.
What are the key properties of 1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol?
1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol is sourced from PubChem (CID 65278136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).