1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol

C16H20N2O — CID 115299972

IUPAC1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol
SMILESCNC1CCN(Cc2c(O)ccc3ccccc23)C1
InChIInChI=1S/C16H20N2O/c1-17-13-8-9-18(10-13)11-15-14-5-3-2-4-12(14)6-7-16(15)19/h2-7,13,17,19H,8-11H2,1H3
InChIKeyZTFHCXZBJBLJTJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.34
Rot. Bonds3

About 1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol

1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol (PubChem CID 115299972) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol
PubChem CID115299972
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol
SMILESCNC1CCN(Cc2c(O)ccc3ccccc23)C1
InChIInChI=1S/C16H20N2O/c1-17-13-8-9-18(10-13)11-15-14-5-3-2-4-12(14)6-7-16(15)19/h2-7,13,17,19H,8-11H2,1H3
InChIKeyZTFHCXZBJBLJTJ-UHFFFAOYSA-N
XLogP2.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol
CID 63263425
1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol
CID 136522765
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol
CID 61297189
1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol
CID 43373408
[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 35870224
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
N-methyl-1-(naphthalen-1-ylmethyl)piperidin-3-amine
CID 62536724
1-[[4-[2-hydroxy-3-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 23878911
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 9325307
N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119905590
1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol
CID 175567947

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol (CID 115299972) is 1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol is CNC1CCN(Cc2c(O)ccc3ccccc23)C1.
What is the InChIKey of 1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol?
The InChIKey is ZTFHCXZBJBLJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-13-8-9-18(10-13)11-15-14-5-3-2-4-12(14)6-7-16(15)19/h2-7,13,17,19H,8-11H2,1H3.
What are the key properties of 1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol?
1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol has a molecular weight of 256.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 115299972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).