1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol

C18H18N2O — CID 28643983

IUPAC1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol
SMILESC[C@H](NCc1c(O)ccc2ccccc12)c1ccncc1
InChIInChI=1S/C18H18N2O/c1-13(14-8-10-19-11-9-14)20-12-17-16-5-3-2-4-15(16)6-7-18(17)21/h2-11,13,20-21H,12H2,1H3/t13-/m0/s1
InChIKeyUMDZTRNWQDOXSF-ZDUSSCGKSA-N
MW278.36 g/mol
LogP3.79
Rot. Bonds4

About 1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol

1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol (PubChem CID 28643983) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol
PubChem CID28643983
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol
SMILESC[C@H](NCc1c(O)ccc2ccccc12)c1ccncc1
InChIInChI=1S/C18H18N2O/c1-13(14-8-10-19-11-9-14)20-12-17-16-5-3-2-4-15(16)6-7-18(17)21/h2-11,13,20-21H,12H2,1H3/t13-/m0/s1
InChIKeyUMDZTRNWQDOXSF-ZDUSSCGKSA-N
XLogP3.79
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.79
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-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol
CID 28683496
(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
CID 104503981
4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]benzene-1,2,3-triol
CID 107730940
1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol
CID 103700917
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 82704686
1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol
CID 81394953
(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406304
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]naphthalen-2-ol
CID 81388297
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-1-pyridin-4-ylethanamine
CID 28666055
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816
(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
CID 29225446

Frequently Asked Questions

What is the IUPAC name of 1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol (CID 28643983) is 1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol is C[C@H](NCc1c(O)ccc2ccccc12)c1ccncc1.
What is the InChIKey of 1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol?
The InChIKey is UMDZTRNWQDOXSF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(14-8-10-19-11-9-14)20-12-17-16-5-3-2-4-15(16)6-7-18(17)21/h2-11,13,20-21H,12H2,1H3/t13-/m0/s1.
What are the key properties of 1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol?
1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol has a molecular weight of 278.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 28643983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).