1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol

C15H24N2O2 — CID 115312774

IUPAC1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESNCC1CCCN1CC(O)COCc1ccccc1
InChIInChI=1S/C15H24N2O2/c16-9-14-7-4-8-17(14)10-15(18)12-19-11-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12,16H2
InChIKeyOPDKSLLREAYMJJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.99
Rot. Bonds7

About 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol

1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol (PubChem CID 115312774) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
PubChem CID115312774
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESNCC1CCCN1CC(O)COCc1ccccc1
InChIInChI=1S/C15H24N2O2/c16-9-14-7-4-8-17(14)10-15(18)12-19-11-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12,16H2
InChIKeyOPDKSLLREAYMJJ-UHFFFAOYSA-N
XLogP0.99
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol
CID 83045560
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 100842291
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol
CID 112734049
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
[1-(2,2-diphenylethyl)pyrrolidin-2-yl]methanamine
CID 107292865
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol (CID 115312774) is 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol is NCC1CCCN1CC(O)COCc1ccccc1.
What is the InChIKey of 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol?
The InChIKey is OPDKSLLREAYMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c16-9-14-7-4-8-17(14)10-15(18)12-19-11-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12,16H2.
What are the key properties of 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol?
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 115312774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).