1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol

C24H22N2O — CID 86220851

IUPAC1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol
SMILESCC(NC(c1ccccn1)c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H22N2O/c1-17(18-9-3-2-4-10-18)26-24(21-13-7-8-16-25-21)23-20-12-6-5-11-19(20)14-15-22(23)27/h2-17,24,26-27H,1H3
InChIKeyUIMTULSFQPCQBY-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.38
Rot. Bonds5

About 1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol

1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol (PubChem CID 86220851) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol
PubChem CID86220851
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol
SMILESCC(NC(c1ccccn1)c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H22N2O/c1-17(18-9-3-2-4-10-18)26-24(21-13-7-8-16-25-21)23-20-12-6-5-11-19(20)14-15-22(23)27/h2-17,24,26-27H,1H3
InChIKeyUIMTULSFQPCQBY-UHFFFAOYSA-N
XLogP5.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.38
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

(1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine
CID 102334236
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide
CID 134025883
1-[(4-bromophenyl)-(pyrimidin-2-ylamino)methyl]naphthalen-2-ol
CID 25128840
(2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol
CID 68622948
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
(1R)-1-naphthalen-1-yl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 10754955
(1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81389419
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine
CID 63842105
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol (CID 86220851) is 1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol is CC(NC(c1ccccn1)c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol?
The InChIKey is UIMTULSFQPCQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-17(18-9-3-2-4-10-18)26-24(21-13-7-8-16-25-21)23-20-12-6-5-11-19(20)14-15-22(23)27/h2-17,24,26-27H,1H3.
What are the key properties of 1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol?
1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol has a molecular weight of 354.45 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol is sourced from PubChem (CID 86220851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).