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

C17H22N2O — CID 63263425

IUPAC1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol
SMILESCNCC1CCN(Cc2c(O)ccc3ccccc23)C1
InChIInChI=1S/C17H22N2O/c1-18-10-13-8-9-19(11-13)12-16-15-5-3-2-4-14(15)6-7-17(16)20/h2-7,13,18,20H,8-12H2,1H3
InChIKeyPBFLKLIERWWRDY-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.59
Rot. Bonds4

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

1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol (PubChem CID 63263425) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol
PubChem CID63263425
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol
SMILESCNCC1CCN(Cc2c(O)ccc3ccccc23)C1
InChIInChI=1S/C17H22N2O/c1-18-10-13-8-9-19(11-13)12-16-15-5-3-2-4-14(15)6-7-17(16)20/h2-7,13,18,20H,8-12H2,1H3
InChIKeyPBFLKLIERWWRDY-UHFFFAOYSA-N
XLogP2.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol
CID 115299972
1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol
CID 61297189
1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol
CID 136522765
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
6-methyl-2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]pyridin-3-ol
CID 79158948
4-chloro-2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 55167509
N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 63263270
[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 35870224
1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838596
1-[[4-[2-hydroxy-3-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 23878911
N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 95199453

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol (CID 63263425) is 1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol is CNCC1CCN(Cc2c(O)ccc3ccccc23)C1.
What is the InChIKey of 1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol?
The InChIKey is PBFLKLIERWWRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-10-13-8-9-19(11-13)12-16-15-5-3-2-4-14(15)6-7-17(16)20/h2-7,13,18,20H,8-12H2,1H3.
What are the key properties of 1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol?
1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol has a molecular weight of 270.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 63263425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).