1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol

C14H22N2O2 — CID 43253320

IUPAC1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESNCc1ccc(OCC(O)CN2CCCC2)cc1
InChIInChI=1S/C14H22N2O2/c15-9-12-3-5-14(6-4-12)18-11-13(17)10-16-7-1-2-8-16/h3-6,13,17H,1-2,7-11,15H2
InChIKeyAJGXNCXLXHJMBQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.98
Rot. Bonds6

About 1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol

1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 43253320) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID43253320
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESNCc1ccc(OCC(O)CN2CCCC2)cc1
InChIInChI=1S/C14H22N2O2/c15-9-12-3-5-14(6-4-12)18-11-13(17)10-16-7-1-2-8-16/h3-6,13,17H,1-2,7-11,15H2
InChIKeyAJGXNCXLXHJMBQ-UHFFFAOYSA-N
XLogP0.98
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340
1-[4-(aminomethyl)phenoxy]-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 43581219
1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 43253309
1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
1-[4-(aminomethyl)phenoxy]-3-(2-methyl-1,4-oxazepan-4-yl)propan-2-ol
CID 62987229
1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
CID 21237668
1-(4-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53352692
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
1-[4-(aminomethyl)phenoxy]-3-(3-methoxypyrrolidin-1-yl)propan-2-ol
CID 103531177
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
1-(4-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 21237689

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (CID 43253320) is 1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol is NCc1ccc(OCC(O)CN2CCCC2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is AJGXNCXLXHJMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-9-12-3-5-14(6-4-12)18-11-13(17)10-16-7-1-2-8-16/h3-6,13,17H,1-2,7-11,15H2.
What are the key properties of 1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 43253320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).