4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C15H25ClN2O2 — CID 120962514

IUPAC4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCC(C)Oc1ccc(CNCC2CNCC2O)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(2)19-14-5-3-12(4-6-14)7-16-8-13-9-17-10-15(13)18;/h3-6,11,13,15-18H,7-10H2,1-2H3;1H
InChIKeyOJUXDFYQOGWRBK-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.57
Rot. Bonds6

About 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962514) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962514
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCC(C)Oc1ccc(CNCC2CNCC2O)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(2)19-14-5-3-12(4-6-14)7-16-8-13-9-17-10-15(13)18;/h3-6,11,13,15-18H,7-10H2,1-2H3;1H
InChIKeyOJUXDFYQOGWRBK-UHFFFAOYSA-N
XLogP1.57
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962692
4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962307
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963056
4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide
CID 120962997
5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 120947162
4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962643
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768
4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961946
4-[[(3-methoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962016
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210749

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962514) is 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is CC(C)Oc1ccc(CNCC2CNCC2O)cc1.Cl.
What is the InChIKey of 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is OJUXDFYQOGWRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-11(2)19-14-5-3-12(4-6-14)7-16-8-13-9-17-10-15(13)18;/h3-6,11,13,15-18H,7-10H2,1-2H3;1H.
What are the key properties of 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).