6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol

C19H19BrN2O — CID 2490091

IUPAC6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
SMILESCCN(Cc1ccncc1)Cc1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C19H19BrN2O/c1-2-22(12-14-7-9-21-10-8-14)13-18-17-5-4-16(20)11-15(17)3-6-19(18)23/h3-11,23H,2,12-13H2,1H3
InChIKeyXBBOZKIAAHNROQ-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.72
Rot. Bonds5

About 6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol

6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol (PubChem CID 2490091) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is 6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
PubChem CID2490091
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC Name6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
SMILESCCN(Cc1ccncc1)Cc1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C19H19BrN2O/c1-2-22(12-14-7-9-21-10-8-14)13-18-17-5-4-16(20)11-15(17)3-6-19(18)23/h3-11,23H,2,12-13H2,1H3
InChIKeyXBBOZKIAAHNROQ-UHFFFAOYSA-N
XLogP4.72
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Pyridin-3-ylnaphthalen-2-ol
CID 11514074
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
CID 46901929
1-[[Ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 2396090
2-(3-Pyridylmethyl)-1-naphthol
CID 15617838
6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
CID 24970356
6-(3-Hydroxyphenyl)-1-(pyridin-4-yl)-2-naphthol
CID 135955190
1-(4-Methyl-2-pyridyliminomethyl)-2-naphthol
CID 809927
6-Pyridin-4-ylmethyl-5,6,7,8-tetrahydro-naphthalen-1-ol
CID 9991838
6-Pyridin-4-ylmethyl-5,6,7,8-tetrahydro-naphthalen-2-ol
CID 10466776
2-Pyridin-4-ylmethyl-naphthalen-1-ol
CID 15617862
4-[1-[2-(4-Bromophenyl)prop-2-enyl]pyridin-1-ium-4-yl]phenol bromide
CID 24799622
6-(4-(2-Methyl-1-(pyridin-4-yl)prop-1-enyl)phenyl)naphthalen-2-ol
CID 46854760

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol (CID 2490091) is 6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol is CCN(Cc1ccncc1)Cc1c(O)ccc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol?
The InChIKey is XBBOZKIAAHNROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O/c1-2-22(12-14-7-9-21-10-8-14)13-18-17-5-4-16(20)11-15(17)3-6-19(18)23/h3-11,23H,2,12-13H2,1H3.
What are the key properties of 6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol?
6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol has a molecular weight of 371.28 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 2490091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).