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

C16H20N2O — CID 63296957

IUPAC1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol
SMILESCN(Cc1c(O)ccc2ccccc12)C1CCNC1
InChIInChI=1S/C16H20N2O/c1-18(13-8-9-17-10-13)11-15-14-5-3-2-4-12(14)6-7-16(15)19/h2-7,13,17,19H,8-11H2,1H3
InChIKeyOQUMPPDYWSRTIM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.34
Rot. Bonds3

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

1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol (PubChem CID 63296957) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol
PubChem CID63296957
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol
SMILESCN(Cc1c(O)ccc2ccccc12)C1CCNC1
InChIInChI=1S/C16H20N2O/c1-18(13-8-9-17-10-13)11-15-14-5-3-2-4-12(14)6-7-16(15)19/h2-7,13,17,19H,8-11H2,1H3
InChIKeyOQUMPPDYWSRTIM-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

3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 114321079
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-methyl-N-(quinolin-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 119923035
1-(piperidin-3-ylmethyl)naphthalen-2-ol
CID 84801092
1-[[methyl(piperidin-2-ylmethyl)amino]methyl]naphthalen-2-ol
CID 106622937
1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol
CID 116651539
N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide
CID 60806004
N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
CID 115118911
N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 63301282
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 82964387
3-[[methyl(piperidin-4-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 61404819

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol (CID 63296957) is 1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol is CN(Cc1c(O)ccc2ccccc12)C1CCNC1.
What is the InChIKey of 1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol?
The InChIKey is OQUMPPDYWSRTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(13-8-9-17-10-13)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-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol?
1-[[methyl(pyrrolidin-3-yl)amino]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-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 63296957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).