4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C18H23Cl2N3O2 — CID 120961872

IUPAC4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1cc(Cl)ccc1OCc1cccnc1
InChIInChI=1S/C18H22ClN3O2.ClH/c19-16-3-4-18(24-12-13-2-1-5-20-7-13)14(6-16)8-21-9-15-10-22-11-17(15)23;/h1-7,15,17,21-23H,8-12H2;1H
InChIKeyLLISKJXVBXYNIX-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.41
Rot. Bonds7

About 4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120961872) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120961872
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1cc(Cl)ccc1OCc1cccnc1
InChIInChI=1S/C18H22ClN3O2.ClH/c19-16-3-4-18(24-12-13-2-1-5-20-7-13)14(6-16)8-21-9-15-10-22-11-17(15)23;/h1-7,15,17,21-23H,8-12H2;1H
InChIKeyLLISKJXVBXYNIX-UHFFFAOYSA-N
XLogP2.41
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120963153
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 17289311
4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962086
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 34535658
4-[[(3-methyl-4-pyridin-3-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962532
3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one
CID 155937771
2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 17054003
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962110
2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol
CID 110899734
4-[[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962652

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120961872) is 4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1CNCC1CNCc1cc(Cl)ccc1OCc1cccnc1.
What is the InChIKey of 4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is LLISKJXVBXYNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2.ClH/c19-16-3-4-18(24-12-13-2-1-5-20-7-13)14(6-16)8-21-9-15-10-22-11-17(15)23;/h1-7,15,17,21-23H,8-12H2;1H.
What are the key properties of 4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 384.31 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120961872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).