4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol

C17H22N2O2 — CID 120962307

IUPAC4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1ccc2cc(CNCC3CNCC3O)ccc2c1
InChIInChI=1S/C17H22N2O2/c1-21-16-5-4-13-6-12(2-3-14(13)7-16)8-18-9-15-10-19-11-17(15)20/h2-7,15,17-20H,8-11H2,1H3
InChIKeyARXGWUUWAYCOQU-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.52
Rot. Bonds5

About 4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol

4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962307) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120962307
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1ccc2cc(CNCC3CNCC3O)ccc2c1
InChIInChI=1S/C17H22N2O2/c1-21-16-5-4-13-6-12(2-3-14(13)7-16)8-18-9-15-10-19-11-17(15)20/h2-7,15,17-20H,8-11H2,1H3
InChIKeyARXGWUUWAYCOQU-UHFFFAOYSA-N
XLogP1.52
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270839
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962514
4-[[(3-methoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962016
4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962643
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963056
4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol
CID 120961737
4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962574
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962110
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride
CID 120946976
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962692
4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol (CID 120962307) is 4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol is COc1ccc2cc(CNCC3CNCC3O)ccc2c1.
What is the InChIKey of 4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is ARXGWUUWAYCOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-16-5-4-13-6-12(2-3-14(13)7-16)8-18-9-15-10-19-11-17(15)20/h2-7,15,17-20H,8-11H2,1H3.
What are the key properties of 4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 286.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).