1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol

C20H22N2O2 — CID 111824301

IUPAC1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol
SMILESOCC(CNCc1c(O)ccc2ccccc12)Cc1ccccn1
InChIInChI=1S/C20H22N2O2/c23-14-15(11-17-6-3-4-10-22-17)12-21-13-19-18-7-2-1-5-16(18)8-9-20(19)24/h1-10,15,21,23-24H,11-14H2
InChIKeyDWPGBCFOYZMQQJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.88
Rot. Bonds7

About 1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol

1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol (PubChem CID 111824301) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol
PubChem CID111824301
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol
SMILESOCC(CNCc1c(O)ccc2ccccc12)Cc1ccccn1
InChIInChI=1S/C20H22N2O2/c23-14-15(11-17-6-3-4-10-22-17)12-21-13-19-18-7-2-1-5-16(18)8-9-20(19)24/h1-10,15,21,23-24H,11-14H2
InChIKeyDWPGBCFOYZMQQJ-UHFFFAOYSA-N
XLogP2.88
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824223
2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824291
2-(pyridin-2-ylmethyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 111824222
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
1-[[(2-hydroxy-3,3-dimethylbutyl)amino]methyl]naphthalen-2-ol
CID 111119224
2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824278
1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol
CID 115655572
(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol
CID 22797314
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335592
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol (CID 111824301) is 1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol is OCC(CNCc1c(O)ccc2ccccc12)Cc1ccccn1.
What is the InChIKey of 1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol?
The InChIKey is DWPGBCFOYZMQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-14-15(11-17-6-3-4-10-22-17)12-21-13-19-18-7-2-1-5-16(18)8-9-20(19)24/h1-10,15,21,23-24H,11-14H2.
What are the key properties of 1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol?
1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol has a molecular weight of 322.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 111824301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).