2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol

C14H23N3O — CID 65380537

IUPAC2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol
SMILESNCC1(NCCO)CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H23N3O/c15-11-14(16-7-9-18)6-8-17(12-14)10-13-4-2-1-3-5-13/h1-5,16,18H,6-12,15H2
InChIKeySZENECATBQGTJC-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.17
Rot. Bonds6

About 2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol

2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol (PubChem CID 65380537) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol
PubChem CID65380537
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol
SMILESNCC1(NCCO)CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H23N3O/c15-11-14(16-7-9-18)6-8-17(12-14)10-13-4-2-1-3-5-13/h1-5,16,18H,6-12,15H2
InChIKeySZENECATBQGTJC-UHFFFAOYSA-N
XLogP0.17
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol
CID 107316927
4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
CID 55030312
4-(aminomethyl)-1-benzyl-N-prop-2-enylpiperidin-4-amine
CID 65382815
[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
CID 22359957
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
N-[1-benzyl-3-(hydroxymethyl)pyrrolidin-3-yl]-methylboronamidic acid;ethane
CID 91360741
1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile
CID 62588038
3-(aminomethyl)-1-benzyl-N-but-3-yn-2-ylpiperidin-3-amine
CID 114416325
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
[1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol
CID 61049771
[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol
CID 61056770
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol?
The IUPAC name of 2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol (CID 65380537) is 2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol is NCC1(NCCO)CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol?
The InChIKey is SZENECATBQGTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c15-11-14(16-7-9-18)6-8-17(12-14)10-13-4-2-1-3-5-13/h1-5,16,18H,6-12,15H2.
What are the key properties of 2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol?
2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol has a molecular weight of 249.36 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol is sourced from PubChem (CID 65380537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).